4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one

C25H35N5O2 — CID 136504725

IUPAC4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILES[H]/N=C(\C)c1c(NC2CCCCC2)nc(C2CCCN(Cc3ccccc3OC)C2)[nH]c1=O
InChIInChI=1S/C25H35N5O2/c1-17(26)22-24(27-20-11-4-3-5-12-20)28-23(29-25(22)31)19-10-8-14-30(16-19)15-18-9-6-7-13-21(18)32-2/h6-7,9,13,19-20,26H,3-5,8,10-12,14-16H2,1-2H3,(H2,27,28,29,31)/b26-17+
InChIKeySWSVXYQTMGJVLL-YZSQISJMSA-N
MW437.59 g/mol
LogP4.29
Rot. Bonds7

About 4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one

4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136504725) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136504725
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILES[H]/N=C(\C)c1c(NC2CCCCC2)nc(C2CCCN(Cc3ccccc3OC)C2)[nH]c1=O
InChIInChI=1S/C25H35N5O2/c1-17(26)22-24(27-20-11-4-3-5-12-20)28-23(29-25(22)31)19-10-8-14-30(16-19)15-18-9-6-7-13-21(18)32-2/h6-7,9,13,19-20,26H,3-5,8,10-12,14-16H2,1-2H3,(H2,27,28,29,31)/b26-17+
InChIKeySWSVXYQTMGJVLL-YZSQISJMSA-N
XLogP4.29
TPSA94.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136735586
tert-butyl 3-[4-(cyclohexylamino)-5-ethanimidoyl-6-oxo-1H-pyrimidin-2-yl]azetidine-1-carboxylate
CID 143667639
2-[1-[3-(butylsulfanylamino)benzoyl]piperidin-3-yl]-4-(cyclohexylamino)-5-ethanimidoyl-1H-pyrimidin-6-one
CID 136504731
4-anilino-5-ethanimidoyl-2-[1-(3-methoxybenzoyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 143667655
7-[(2-methoxyphenyl)methyl]-2-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136850538
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136707369
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795642
2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869431
4-(azepan-1-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086418
7-acetyl-2-[1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136797000
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136504725) is 4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one is [H]/N=C(\C)c1c(NC2CCCCC2)nc(C2CCCN(Cc3ccccc3OC)C2)[nH]c1=O.
What is the InChIKey of 4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is SWSVXYQTMGJVLL-YZSQISJMSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-17(26)22-24(27-20-11-4-3-5-12-20)28-23(29-25(22)31)19-10-8-14-30(16-19)15-18-9-6-7-13-21(18)32-2/h6-7,9,13,19-20,26H,3-5,8,10-12,14-16H2,1-2H3,(H2,27,28,29,31)/b26-17+.
What are the key properties of 4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 437.59 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-5-ethanimidoyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136504725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).