4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine

C18H24N6O — CID 139437359

IUPAC4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine
SMILESCOc1ncnc(C2CC2)c1-c1nc(C)c(N)c(N[C@@H](C)C2CC2)n1
InChIInChI=1S/C18H24N6O/c1-9(11-4-5-11)22-17-14(19)10(2)23-16(24-17)13-15(12-6-7-12)20-8-21-18(13)25-3/h8-9,11-12H,4-7,19H2,1-3H3,(H,22,23,24)/t9-/m0/s1
InChIKeyGFPITPMTQZGERX-VIFPVBQESA-N
MW340.43 g/mol
LogP2.92
Rot. Bonds6

About 4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine

4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine (PubChem CID 139437359) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine
PubChem CID139437359
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine
SMILESCOc1ncnc(C2CC2)c1-c1nc(C)c(N)c(N[C@@H](C)C2CC2)n1
InChIInChI=1S/C18H24N6O/c1-9(11-4-5-11)22-17-14(19)10(2)23-16(24-17)13-15(12-6-7-12)20-8-21-18(13)25-3/h8-9,11-12H,4-7,19H2,1-3H3,(H,22,23,24)/t9-/m0/s1
InChIKeyGFPITPMTQZGERX-VIFPVBQESA-N
XLogP2.92
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine with MolForge

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Related Compounds

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine
CID 139437423
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-N,6-dimethyl-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-4,5-diamine
CID 139437458
2-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-4-methyl-8-(1,1,1-trifluoropropan-2-yl)pteridin-7-one
CID 139437755
(Z)-1-N-[2-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)-5-methanimidoylpyrimidin-4-yl]-1-N'-(1-fluoropropan-2-yl)-1-N'-[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]but-1-ene-1,1-diamine
CID 163887790
4-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 177165344
4-Cyclopropyl-6-methoxypyrimidine-5-carboximidamide
CID 83677970
8-(1-Cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one
CID 138713359
4-N-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine
CID 139437365
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-4,5-diamine
CID 139437378
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-4-N-propylpyrimidine-4,5-diamine
CID 139437430
2-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-4,5,6-trimethylpyrimidine
CID 145285836
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methanimidoyl-N-(1-methoxypentyl)pyrimidin-4-amine
CID 153621025

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine (CID 139437359) is 4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine is COc1ncnc(C2CC2)c1-c1nc(C)c(N)c(N[C@@H](C)C2CC2)n1.
What is the InChIKey of 4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine?
The InChIKey is GFPITPMTQZGERX-VIFPVBQESA-N. The full InChI is InChI=1S/C18H24N6O/c1-9(11-4-5-11)22-17-14(19)10(2)23-16(24-17)13-15(12-6-7-12)20-8-21-18(13)25-3/h8-9,11-12H,4-7,19H2,1-3H3,(H,22,23,24)/t9-/m0/s1.
What are the key properties of 4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine?
4-N-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine has a molecular weight of 340.43 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-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 139437359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).