2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine

C17H24N6O — CID 139437378

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCOc1ncnc(C2CC2)c1-c1nc(C)c(N)c(NCC(C)C)n1
InChIInChI=1S/C17H24N6O/c1-9(2)7-19-16-13(18)10(3)22-15(23-16)12-14(11-5-6-11)20-8-21-17(12)24-4/h8-9,11H,5-7,18H2,1-4H3,(H,19,22,23)
InChIKeyMMICEOZUYPZORF-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.78
Rot. Bonds6

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 139437378) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID139437378
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCOc1ncnc(C2CC2)c1-c1nc(C)c(N)c(NCC(C)C)n1
InChIInChI=1S/C17H24N6O/c1-9(2)7-19-16-13(18)10(3)22-15(23-16)12-14(11-5-6-11)20-8-21-17(12)24-4/h8-9,11H,5-7,18H2,1-4H3,(H,19,22,23)
InChIKeyMMICEOZUYPZORF-UHFFFAOYSA-N
XLogP2.78
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.78
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)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine (CID 139437378) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine is COc1ncnc(C2CC2)c1-c1nc(C)c(N)c(NCC(C)C)n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is MMICEOZUYPZORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-9(2)7-19-16-13(18)10(3)22-15(23-16)12-14(11-5-6-11)20-8-21-17(12)24-4/h8-9,11H,5-7,18H2,1-4H3,(H,19,22,23).
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 328.42 g/mol, XLogP of 2.78, 6 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)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 139437378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).