4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide

C22H30N4O — CID 42670860

IUPAC4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)C1CCCCC1
InChIInChI=1S/C22H30N4O/c1-4-13-23-22(27)19-15-24-20(17-10-8-9-16(2)14-17)25-21(19)26(3)18-11-6-5-7-12-18/h8-10,14-15,18H,4-7,11-13H2,1-3H3,(H,23,27)
InChIKeyWOODHTSHXZTVHB-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.36
Rot. Bonds6

About 4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide

4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide (PubChem CID 42670860) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
PubChem CID42670860
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)C1CCCCC1
InChIInChI=1S/C22H30N4O/c1-4-13-23-22(27)19-15-24-20(17-10-8-9-16(2)14-17)25-21(19)26(3)18-11-6-5-7-12-18/h8-10,14-15,18H,4-7,11-13H2,1-3H3,(H,23,27)
InChIKeyWOODHTSHXZTVHB-UHFFFAOYSA-N
XLogP4.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670864
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670942
N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670856
2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]-N-propylpyrimidine-5-carboxamide
CID 42670835
[4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 42670869
N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670889
N-ethyl-2-(3-methylphenyl)-4-[methyl(propan-2-yl)amino]pyrimidine-5-carboxamide
CID 42670833
N-cyclopropyl-4-(dimethylamino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670807
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
CID 42882414
N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide
CID 42822223
4-(N-ethyl-3-methylanilino)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 93135237
4-(N-ethyl-3-methylanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 42882426

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide (CID 42670860) is 4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide?
The InChIKey is WOODHTSHXZTVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-13-23-22(27)19-15-24-20(17-10-8-9-16(2)14-17)25-21(19)26(3)18-11-6-5-7-12-18/h8-10,14-15,18H,4-7,11-13H2,1-3H3,(H,23,27).
What are the key properties of 4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide?
4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 42670860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).