2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide

C17H28N4O — CID 109250532

IUPAC2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C17H28N4O/c1-3-10-21(11-4-2)16(22)14-12-18-17(19-13-14)20-15-8-6-5-7-9-15/h12-13,15H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyZQCABNSDTRTUEA-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.48
Rot. Bonds7

About 2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide

2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide (PubChem CID 109250532) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide
PubChem CID109250532
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C17H28N4O/c1-3-10-21(11-4-2)16(22)14-12-18-17(19-13-14)20-15-8-6-5-7-9-15/h12-13,15H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyZQCABNSDTRTUEA-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486
N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109248050
2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109332852
N,N-dipropyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246750
2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253363
2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109321987
6-(cyclohexylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 109112883
N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109262837
N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109263085
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide (CID 109250532) is 2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide is CCCN(CCC)C(=O)c1cnc(NC2CCCCC2)nc1.
What is the InChIKey of 2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide?
The InChIKey is ZQCABNSDTRTUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-10-21(11-4-2)16(22)14-12-18-17(19-13-14)20-15-8-6-5-7-9-15/h12-13,15H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide?
2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide is sourced from PubChem (CID 109250532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).