6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide

C24H33N5O — CID 25182921

IUPAC6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1
InChIInChI=1S/C24H33N5O/c1-28(2)15-18-10-12-20(13-11-18)27-24(30)22-14-23(26-17-25-22)29(16-19-8-9-19)21-6-4-3-5-7-21/h10-14,17,19,21H,3-9,15-16H2,1-2H3,(H,27,30)
InChIKeyATFKFGZTHOJXBN-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.34
Rot. Bonds8

About 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide

6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide (PubChem CID 25182921) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide
PubChem CID25182921
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide
SMILESCN(C)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1
InChIInChI=1S/C24H33N5O/c1-28(2)15-18-10-12-20(13-11-18)27-24(30)22-14-23(26-17-25-22)29(16-19-8-9-19)21-6-4-3-5-7-21/h10-14,17,19,21H,3-9,15-16H2,1-2H3,(H,27,30)
InChIKeyATFKFGZTHOJXBN-UHFFFAOYSA-N
XLogP4.34
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide (CID 25182921) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide is CN(C)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.
What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide?
The InChIKey is ATFKFGZTHOJXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-28(2)15-18-10-12-20(13-11-18)27-24(30)22-14-23(26-17-25-22)29(16-19-8-9-19)21-6-4-3-5-7-21/h10-14,17,19,21H,3-9,15-16H2,1-2H3,(H,27,30).
What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide?
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 25182921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).