2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide

C19H32N4O — CID 109332852

IUPAC2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(NC2CCCCCC2)n1
InChIInChI=1S/C19H32N4O/c1-4-12-23(13-5-2)18(24)17-14-15(3)20-19(22-17)21-16-10-8-6-7-9-11-16/h14,16H,4-13H2,1-3H3,(H,20,21,22)
InChIKeyCUAQKHWECCJHPE-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.18
Rot. Bonds7

About 2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide

2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109332852) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109332852
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(NC2CCCCCC2)n1
InChIInChI=1S/C19H32N4O/c1-4-12-23(13-5-2)18(24)17-14-15(3)20-19(22-17)21-16-10-8-6-7-9-11-16/h14,16H,4-13H2,1-3H3,(H,20,21,22)
InChIKeyCUAQKHWECCJHPE-UHFFFAOYSA-N
XLogP4.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109321987
2-(cyclohexylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319065
N-butyl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109320611
2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109322624
2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide
CID 109250532
6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109334224
2-(cyclopentylamino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109322092
2-(cyclopentylamino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109320990
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332847
ethyl 4-[[4-(diethylcarbamoyl)-6-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109331937
N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332725

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide (CID 109332852) is 2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(C)nc(NC2CCCCCC2)n1.
What is the InChIKey of 2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is CUAQKHWECCJHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-4-12-23(13-5-2)18(24)17-14-15(3)20-19(22-17)21-16-10-8-6-7-9-11-16/h14,16H,4-13H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).