4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide

C23H33N5O — CID 42670864

IUPAC4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCCN(C)C)c(N(C)C3CCCCC3)n2)c1
InChIInChI=1S/C23H33N5O/c1-17-9-8-10-18(15-17)21-25-16-20(23(29)24-13-14-27(2)3)22(26-21)28(4)19-11-6-5-7-12-19/h8-10,15-16,19H,5-7,11-14H2,1-4H3,(H,24,29)
InChIKeySHCAVGIYKMDUTQ-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.51
Rot. Bonds7

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

4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 42670864) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID42670864
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCCN(C)C)c(N(C)C3CCCCC3)n2)c1
InChIInChI=1S/C23H33N5O/c1-17-9-8-10-18(15-17)21-25-16-20(23(29)24-13-14-27(2)3)22(26-21)28(4)19-11-6-5-7-12-19/h8-10,15-16,19H,5-7,11-14H2,1-4H3,(H,24,29)
InChIKeySHCAVGIYKMDUTQ-UHFFFAOYSA-N
XLogP3.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670860
N-butan-2-yl-4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670856
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670942
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-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012
4-[benzyl(methyl)amino]-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 42670820
4-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 42670444

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide (CID 42670864) is 4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide is Cc1cccc(-c2ncc(C(=O)NCCN(C)C)c(N(C)C3CCCCC3)n2)c1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is SHCAVGIYKMDUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-17-9-8-10-18(15-17)21-25-16-20(23(29)24-13-14-27(2)3)22(26-21)28(4)19-11-6-5-7-12-19/h8-10,15-16,19H,5-7,11-14H2,1-4H3,(H,24,29).
What are the key properties of 4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide?
4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42670864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).