[4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone

C23H30N4O2 — CID 42670869

IUPAC[4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(-c2ncc(C(=O)N3CCOCC3)c(N(C)C3CCCCC3)n2)c1
InChIInChI=1S/C23H30N4O2/c1-17-7-6-8-18(15-17)21-24-16-20(23(28)27-11-13-29-14-12-27)22(25-21)26(2)19-9-4-3-5-10-19/h6-8,15-16,19H,3-5,9-14H2,1-2H3
InChIKeyIODMJRDJBCNBIJ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.69
Rot. Bonds4

About [4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone

[4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone (PubChem CID 42670869) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is [4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
PubChem CID42670869
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name[4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(-c2ncc(C(=O)N3CCOCC3)c(N(C)C3CCCCC3)n2)c1
InChIInChI=1S/C23H30N4O2/c1-17-7-6-8-18(15-17)21-24-16-20(23(28)27-11-13-29-14-12-27)22(25-21)26(2)19-9-4-3-5-10-19/h6-8,15-16,19H,3-5,9-14H2,1-2H3
InChIKeyIODMJRDJBCNBIJ-UHFFFAOYSA-N
XLogP3.69
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670856
4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670860
4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670864
[4-[ethyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42821172
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670942
1-[4-[2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 42670767
1-[4-[2-(3-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 97478193
ethyl (3S)-1-[4-[benzyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 93138282
N-cyclopropyl-4-(dimethylamino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670807
4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670939
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
[4-(N-ethyl-3-methylanilino)-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 42671339

Frequently Asked Questions

What is the IUPAC name of [4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone (CID 42670869) is [4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone is Cc1cccc(-c2ncc(C(=O)N3CCOCC3)c(N(C)C3CCCCC3)n2)c1.
What is the InChIKey of [4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is IODMJRDJBCNBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-7-6-8-18(15-17)21-24-16-20(23(28)27-11-13-29-14-12-27)22(25-21)26(2)19-9-4-3-5-10-19/h6-8,15-16,19H,3-5,9-14H2,1-2H3.
What are the key properties of [4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone?
[4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 394.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42670869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).