6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

C21H28N4O2 — CID 109354003

IUPAC6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(NC3CCCCCC3)ncn2)cc1
InChIInChI=1S/C21H28N4O2/c1-15(2)27-18-11-9-17(10-12-18)25-21(26)19-13-20(23-14-22-19)24-16-7-5-3-4-6-8-16/h9-16H,3-8H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyNKHNXEXKTVHKMX-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.65
Rot. Bonds6

About 6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109354003) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
PubChem CID109354003
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(NC3CCCCCC3)ncn2)cc1
InChIInChI=1S/C21H28N4O2/c1-15(2)27-18-11-9-17(10-12-18)25-21(26)19-13-20(23-14-22-19)24-16-7-5-3-4-6-8-16/h9-16H,3-8H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyNKHNXEXKTVHKMX-UHFFFAOYSA-N
XLogP4.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide 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

6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109341918
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935
6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide
CID 59447103
6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide
CID 59446849
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341309
N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109338961
6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109339940
4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109080807
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109346565
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (CID 109354003) is 6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is CC(C)Oc1ccc(NC(=O)c2cc(NC3CCCCCC3)ncn2)cc1.
What is the InChIKey of 6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is NKHNXEXKTVHKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(2)27-18-11-9-17(10-12-18)25-21(26)19-13-20(23-14-22-19)24-16-7-5-3-4-6-8-16/h9-16H,3-8H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109354003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).