N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine

C16H17N5 — CID 146046076

IUPACN-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cc(C)c(CNc2ncnc3ccc(C)nc23)cn1
InChIInChI=1S/C16H17N5/c1-10-6-12(3)17-7-13(10)8-18-16-15-14(19-9-20-16)5-4-11(2)21-15/h4-7,9H,8H2,1-3H3,(H,18,19,20)
InChIKeyFDAOEOAOQPHBKV-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.96
Rot. Bonds3

About N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine

N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 146046076) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID146046076
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cc(C)c(CNc2ncnc3ccc(C)nc23)cn1
InChIInChI=1S/C16H17N5/c1-10-6-12(3)17-7-13(10)8-18-16-15-14(19-9-20-16)5-4-11(2)21-15/h4-7,9H,8H2,1-3H3,(H,18,19,20)
InChIKeyFDAOEOAOQPHBKV-UHFFFAOYSA-N
XLogP2.96
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine (CID 146046076) is N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine is Cc1cc(C)c(CNc2ncnc3ccc(C)nc23)cn1.
What is the InChIKey of N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is FDAOEOAOQPHBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-10-6-12(3)17-7-13(10)8-18-16-15-14(19-9-20-16)5-4-11(2)21-15/h4-7,9H,8H2,1-3H3,(H,18,19,20).
What are the key properties of N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine?
N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-3-pyridinyl)methyl]-6-methylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 146046076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).