N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide

C20H33N5O2 — CID 135963261

IUPACN-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide
SMILESCC(C)[C@H](NC(=O)C1CCCCC1)c1cc(=O)[nH]c(N2CCN(C)CC2)n1
InChIInChI=1S/C20H33N5O2/c1-14(2)18(23-19(27)15-7-5-4-6-8-15)16-13-17(26)22-20(21-16)25-11-9-24(3)10-12-25/h13-15,18H,4-12H2,1-3H3,(H,23,27)(H,21,22,26)/t18-/m0/s1
InChIKeyJAWPSOJCPDLYTG-SFHVURJKSA-N
MW375.52 g/mol
LogP1.92
Rot. Bonds5

About N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide

N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide (PubChem CID 135963261) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide
PubChem CID135963261
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide
SMILESCC(C)[C@H](NC(=O)C1CCCCC1)c1cc(=O)[nH]c(N2CCN(C)CC2)n1
InChIInChI=1S/C20H33N5O2/c1-14(2)18(23-19(27)15-7-5-4-6-8-15)16-13-17(26)22-20(21-16)25-11-9-24(3)10-12-25/h13-15,18H,4-12H2,1-3H3,(H,23,27)(H,21,22,26)/t18-/m0/s1
InChIKeyJAWPSOJCPDLYTG-SFHVURJKSA-N
XLogP1.92
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-({2-[5-methyl-5-(4-methylpent-3-en-1-yl)-2-oxopiperidin-1-yl]ethyl}amino)pyrimidin-4(3H)-one
CID 136218474
4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136881811
2-[(2-amino-4-methylpentyl)amino]-5-(4-fluorocyclohexyl)-4-piperidin-4-yl-1H-pyrimidin-6-one
CID 140434753
2-[(2-amino-3-cyclohexylpropyl)amino]-5-(4-fluorocyclohexyl)-4-piperidin-4-yl-1H-pyrimidin-6-one
CID 140434765
2-(2-aminohexylamino)-5-(4-fluorocyclohexyl)-4-piperidin-4-yl-1H-pyrimidin-6-one
CID 140434768
2-[4-(Cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-5-fluoro-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 154830592
N-({1-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)cyclohexanecarboxamide
CID 136069352
N-cyclohexyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
CID 136761465
4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137248440
4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]-1H-pyrimidin-6-one
CID 137252555
8-[(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 136232329
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136402814

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide (CID 135963261) is N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide is CC(C)[C@H](NC(=O)C1CCCCC1)c1cc(=O)[nH]c(N2CCN(C)CC2)n1.
What is the InChIKey of N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide?
The InChIKey is JAWPSOJCPDLYTG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-14(2)18(23-19(27)15-7-5-4-6-8-15)16-13-17(26)22-20(21-16)25-11-9-24(3)10-12-25/h13-15,18H,4-12H2,1-3H3,(H,23,27)(H,21,22,26)/t18-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide?
N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide has a molecular weight of 375.52 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-[2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 135963261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).