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

C16H22N6O — CID 139437430

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine
SMILESCCCNc1nc(-c2c(OC)ncnc2C2CC2)nc(C)c1N
InChIInChI=1S/C16H22N6O/c1-4-7-18-15-12(17)9(2)21-14(22-15)11-13(10-5-6-10)19-8-20-16(11)23-3/h8,10H,4-7,17H2,1-3H3,(H,18,21,22)
InChIKeyWIUBOQMPQMXJHR-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.53
Rot. Bonds6

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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine (PubChem CID 139437430) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine
PubChem CID139437430
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine
SMILESCCCNc1nc(-c2c(OC)ncnc2C2CC2)nc(C)c1N
InChIInChI=1S/C16H22N6O/c1-4-7-18-15-12(17)9(2)21-14(22-15)11-13(10-5-6-10)19-8-20-16(11)23-3/h8,10H,4-7,17H2,1-3H3,(H,18,21,22)
InChIKeyWIUBOQMPQMXJHR-UHFFFAOYSA-N
XLogP2.53
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.53
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-propylpyrimidine-4,5-diamine?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine (CID 139437430) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine is CCCNc1nc(-c2c(OC)ncnc2C2CC2)nc(C)c1N.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine?
The InChIKey is WIUBOQMPQMXJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-4-7-18-15-12(17)9(2)21-14(22-15)11-13(10-5-6-10)19-8-20-16(11)23-3/h8,10H,4-7,17H2,1-3H3,(H,18,21,22).
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine has a molecular weight of 314.39 g/mol, XLogP of 2.53, 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-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 139437430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).