2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine

C16H17N5 — CID 163478567

IUPAC2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCc3[nH]ccc3C2)c2ncccc2n1
InChIInChI=1S/C16H17N5/c1-10-19-14-3-2-7-18-15(14)16(20-10)21-12-4-5-13-11(9-12)6-8-17-13/h2-3,6-8,12,17H,4-5,9H2,1H3,(H,19,20,21)
InChIKeyCCPCBEOQQFXQQQ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.63
Rot. Bonds2

About 2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine

2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 163478567) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID163478567
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCc3[nH]ccc3C2)c2ncccc2n1
InChIInChI=1S/C16H17N5/c1-10-19-14-3-2-7-18-15(14)16(20-10)21-12-4-5-13-11(9-12)6-8-17-13/h2-3,6-8,12,17H,4-5,9H2,1H3,(H,19,20,21)
InChIKeyCCPCBEOQQFXQQQ-UHFFFAOYSA-N
XLogP2.63
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine (CID 163478567) is 2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine is Cc1nc(NC2CCc3[nH]ccc3C2)c2ncccc2n1.
What is the InChIKey of 2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is CCPCBEOQQFXQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-10-19-14-3-2-7-18-15(14)16(20-10)21-12-4-5-13-11(9-12)6-8-17-13/h2-3,6-8,12,17H,4-5,9H2,1H3,(H,19,20,21).
What are the key properties of 2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine?
2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 163478567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).