N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine — IUPAC name, SMILES, InChIKey & properties

Name: N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 164958968) has the molecular formula C98H100N24O3 and a molecular weight of 1662.04 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name	N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID	164958968
Molecular Formula	C98H100N24O3
Molecular Weight	1662.04 g/mol
Exact Mass	1660.84
IUPAC Name	N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILES	Cc1cc2c(NC3CCCc4ccccc43)ncnc2[nH]1.Cc1cc2c(NC3CCOc4ccccc43)ncnc2[nH]1.Cc1cc2c(NC3CCOc4ccccc43)ncnc2[nH]1.Cc1cc2c(NC3CCc4ccccc43)ncnc2[nH]1.Cc1cc2c(NC3COc4ccccc43)ncnc2[nH]1.Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]c(C)cc12
InChI	InChI=1S/C18H20N4.C17H18N4.2C16H16N4O.C16H16N4.C15H14N4O/c1-11-6-7-14-13(8-11)4-3-5-16(14)22-18-15-9-12(2)21-17(15)19-10-20-18;1-11-9-14-16(20-11)18-10-19-17(14)21-15-8-4-6-12-5-2-3-7-13(12)15;21-10-8-12-15(19-10)17-9-18-16(12)20-13-6-7-21-14-5-3-2-4-11(13)14;1-10-8-13-15(19-10)17-9-18-16(13)20-14-7-6-11-4-2-3-5-12(11)14;1-9-6-11-14(18-9)16-8-17-15(11)19-12-7-20-13-5-3-2-4-10(12)13/h6-10,16H,3-5H2,1-2H3,(H2,19,20,21,22);2-3,5,7,9-10,15H,4,6,8H2,1H3,(H2,18,19,20,21);22-5,8-9,13H,6-7H2,1H3,(H2,17,18,19,20);2-5,8-9,14H,6-7H2,1H3,(H2,17,18,19,20);2-6,8,12H,7H2,1H3,(H2,16,17,18,19)
InChIKey	BOFGUQZAEIDEPI-UHFFFAOYSA-N
XLogP	20.40
TPSA	349.29 Å²
H-Bond Donors	12
H-Bond Acceptors	21
Rotatable Bonds	12
Heavy Atoms	125
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1662.04
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Analyze N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 164958968) is N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(NC3CCCc4ccccc43)ncnc2[nH]1.Cc1cc2c(NC3CCOc4ccccc43)ncnc2[nH]1.Cc1cc2c(NC3CCOc4ccccc43)ncnc2[nH]1.Cc1cc2c(NC3CCc4ccccc43)ncnc2[nH]1.Cc1cc2c(NC3COc4ccccc43)ncnc2[nH]1.Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]c(C)cc12.

What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is BOFGUQZAEIDEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4.C17H18N4.2C16H16N4O.C16H16N4.C15H14N4O/c1-11-6-7-14-13(8-11)4-3-5-16(14)22-18-15-9-12(2)21-17(15)19-10-20-18;1-11-9-14-16(20-11)18-10-19-17(14)21-15-8-4-6-12-5-2-3-7-13(12)15;2*1-10-8-12-15(19-10)17-9-18-16(12)20-13-6-7-21-14-5-3-2-4-11(13)14;1-10-8-13-15(19-10)17-9-18-16(13)20-14-7-6-11-4-2-3-5-12(11)14;1-9-6-11-14(18-9)16-8-17-15(11)19-12-7-20-13-5-3-2-4-10(12)13/h6-10,16H,3-5H2,1-2H3,(H2,19,20,21,22);2-3,5,7,9-10,15H,4,6,8H2,1H3,(H2,18,19,20,21);2*2-5,8-9,13H,6-7H2,1H3,(H2,17,18,19,20);2-5,8-9,14H,6-7H2,1H3,(H2,17,18,19,20);2-6,8,12H,7H2,1H3,(H2,16,17,18,19).

What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

Where does this data come from?

All data for N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;bis(N-(3,4-dihydro-2H-chromen-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine);N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164958968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).