6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C20H22N6 — CID 25033090

IUPAC6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NC(C)c4cccnc4)c3C2)nc1
InChIInChI=1S/C20H22N6/c1-14-5-6-19(22-10-14)26-9-7-18-17(12-26)20(24-13-23-18)25-15(2)16-4-3-8-21-11-16/h3-6,8,10-11,13,15H,7,9,12H2,1-2H3,(H,23,24,25)
InChIKeyKHKPRVFTDKPHCV-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.31
Rot. Bonds4

About 6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033090) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25033090
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NC(C)c4cccnc4)c3C2)nc1
InChIInChI=1S/C20H22N6/c1-14-5-6-19(22-10-14)26-9-7-18-17(12-26)20(24-13-23-18)25-15(2)16-4-3-8-21-11-16/h3-6,8,10-11,13,15H,7,9,12H2,1-2H3,(H,23,24,25)
InChIKeyKHKPRVFTDKPHCV-UHFFFAOYSA-N
XLogP3.31
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033090) is 6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(NC(C)c4cccnc4)c3C2)nc1.
What is the InChIKey of 6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is KHKPRVFTDKPHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-14-5-6-19(22-10-14)26-9-7-18-17(12-26)20(24-13-23-18)25-15(2)16-4-3-8-21-11-16/h3-6,8,10-11,13,15H,7,9,12H2,1-2H3,(H,23,24,25).
What are the key properties of 6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 346.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-2-pyridinyl)-N-(1-pyridin-3-ylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).