2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C15H18N6O — CID 172584503

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1ncnc(C2CC2)c1-c1nc(N)c2c(n1)CNCC2
InChIInChI=1S/C15H18N6O/c1-22-15-11(12(8-2-3-8)18-7-19-15)14-20-10-6-17-5-4-9(10)13(16)21-14/h7-8,17H,2-6H2,1H3,(H2,16,20,21)
InChIKeyOAWLVQRDYHMDPD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.05
Rot. Bonds3

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 172584503) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID172584503
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1ncnc(C2CC2)c1-c1nc(N)c2c(n1)CNCC2
InChIInChI=1S/C15H18N6O/c1-22-15-11(12(8-2-3-8)18-7-19-15)14-20-10-6-17-5-4-9(10)13(16)21-14/h7-8,17H,2-6H2,1H3,(H2,16,20,21)
InChIKeyOAWLVQRDYHMDPD-UHFFFAOYSA-N
XLogP1.05
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 172584503) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is COc1ncnc(C2CC2)c1-c1nc(N)c2c(n1)CNCC2.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is OAWLVQRDYHMDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-22-15-11(12(8-2-3-8)18-7-19-15)14-20-10-6-17-5-4-9(10)13(16)21-14/h7-8,17H,2-6H2,1H3,(H2,16,20,21).
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 298.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 172584503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).