4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine

C17H24N6O — CID 139437365

IUPAC4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine
SMILESCC[C@H](C)Nc1nc(-c2c(OC)ncnc2C2CC2)nc(C)c1N
InChIInChI=1S/C17H24N6O/c1-5-9(2)21-16-13(18)10(3)22-15(23-16)12-14(11-6-7-11)19-8-20-17(12)24-4/h8-9,11H,5-7,18H2,1-4H3,(H,21,22,23)/t9-/m0/s1
InChIKeyKULKHLZLPFENIR-VIFPVBQESA-N
MW328.42 g/mol
LogP2.92
Rot. Bonds6

About 4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine

4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine (PubChem CID 139437365) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine
PubChem CID139437365
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine
SMILESCC[C@H](C)Nc1nc(-c2c(OC)ncnc2C2CC2)nc(C)c1N
InChIInChI=1S/C17H24N6O/c1-5-9(2)21-16-13(18)10(3)22-15(23-16)12-14(11-6-7-11)19-8-20-17(12)24-4/h8-9,11H,5-7,18H2,1-4H3,(H,21,22,23)/t9-/m0/s1
InChIKeyKULKHLZLPFENIR-VIFPVBQESA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine (CID 139437365) is 4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine is CC[C@H](C)Nc1nc(-c2c(OC)ncnc2C2CC2)nc(C)c1N.
What is the InChIKey of 4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine?
The InChIKey is KULKHLZLPFENIR-VIFPVBQESA-N. The full InChI is InChI=1S/C17H24N6O/c1-5-9(2)21-16-13(18)10(3)22-15(23-16)12-14(11-6-7-11)19-8-20-17(12)24-4/h8-9,11H,5-7,18H2,1-4H3,(H,21,22,23)/t9-/m0/s1.
What are the key properties of 4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine?
4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine has a molecular weight of 328.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 139437365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).