4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C18H23N5 — CID 56749483

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCN(C)c1nc2c(c(N3CCc4ccccc4C3)n1)CCNC2
InChIInChI=1S/C18H23N5/c1-22(2)18-20-16-11-19-9-7-15(16)17(21-18)23-10-8-13-5-3-4-6-14(13)12-23/h3-6,19H,7-12H2,1-2H3
InChIKeyOWXQHIVLIMWCAN-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.75
Rot. Bonds2

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 56749483) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID56749483
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCN(C)c1nc2c(c(N3CCc4ccccc4C3)n1)CCNC2
InChIInChI=1S/C18H23N5/c1-22(2)18-20-16-11-19-9-7-15(16)17(21-18)23-10-8-13-5-3-4-6-14(13)12-23/h3-6,19H,7-12H2,1-2H3
InChIKeyOWXQHIVLIMWCAN-UHFFFAOYSA-N
XLogP1.75
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 56749483) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is CN(C)c1nc2c(c(N3CCc4ccccc4C3)n1)CCNC2.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is OWXQHIVLIMWCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-22(2)18-20-16-11-19-9-7-15(16)17(21-18)23-10-8-13-5-3-4-6-14(13)12-23/h3-6,19H,7-12H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 309.42 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 56749483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).