bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine — IUPAC name, SMILES, InChIKey & properties

Name: bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine

bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 159127313) has the molecular formula C72H65Cl8N17O7S3 and a molecular weight of 1660.25 g/mol. Its IUPAC name is bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name	bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID	159127313
Molecular Formula	C72H65Cl8N17O7S3
Molecular Weight	1660.25 g/mol
Exact Mass	1655.19
IUPAC Name	bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILES	CCCNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CCCNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.Cc1c[nH]c2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc12.Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2cc(C(=O)NCCN3CCCC3)sc2n1
InChI	InChI=1S/C21H21Cl2N5O2S.2C18H16Cl2N4O2S.C15H12Cl2N4O/c22-13-10-14(23)18-11(3-8-30-18)16(13)17-12-9-15(31-20(12)27-21(24)26-17)19(29)25-4-7-28-5-1-2-6-28;21-2-4-22-16(25)12-6-9-14(23-18(21)24-17(9)27-12)13-8-3-5-26-15(8)11(20)7-10(13)19;1-6-5-19-13-11(6)20-15(18)21-12(13)10-7-2-3-22-14(7)9(17)4-8(10)16/h9-10H,1-8H2,(H,25,29)(H2,24,26,27);26-7H,2-5H2,1H3,(H,22,25)(H2,21,23,24);4-5,19H,2-3H2,1H3,(H2,18,20,21)
InChIKey	KGLFLJZXQCMCAV-UHFFFAOYSA-N
XLogP	16.41
TPSA	350.45 Å²
H-Bond Donors	8
H-Bond Acceptors	23
Rotatable Bonds	14
Heavy Atoms	107
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1660.25
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Analyze bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

The IUPAC name of bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 159127313) is bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

What is the SMILES notation for bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

The canonical SMILES for bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine is CCCNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CCCNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.Cc1c[nH]c2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc12.Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2cc(C(=O)NCCN3CCCC3)sc2n1.

What is the InChIKey of bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

The InChIKey is KGLFLJZXQCMCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2S.2C18H16Cl2N4O2S.C15H12Cl2N4O/c22-13-10-14(23)18-11(3-8-30-18)16(13)17-12-9-15(31-20(12)27-21(24)26-17)19(29)25-4-7-28-5-1-2-6-28;2*1-2-4-22-16(25)12-6-9-14(23-18(21)24-17(9)27-12)13-8-3-5-26-15(8)11(20)7-10(13)19;1-6-5-19-13-11(6)20-15(18)21-12(13)10-7-2-3-22-14(7)9(17)4-8(10)16/h9-10H,1-8H2,(H,25,29)(H2,24,26,27);2*6-7H,2-5H2,1H3,(H,22,25)(H2,21,23,24);4-5,19H,2-3H2,1H3,(H2,18,20,21).

What are the key properties of bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

Where does this data come from?

All data for bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide);2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 159127313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).