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

C17H28N4O — CID 109321987

IUPAC2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(NC2CCCC2)n1
InChIInChI=1S/C17H28N4O/c1-4-10-21(11-5-2)16(22)15-12-13(3)18-17(20-15)19-14-8-6-7-9-14/h12,14H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyQKFXSAOBQHFPJM-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.40
Rot. Bonds7

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

2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109321987) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109321987
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(NC2CCCC2)n1
InChIInChI=1S/C17H28N4O/c1-4-10-21(11-5-2)16(22)15-12-13(3)18-17(20-15)19-14-8-6-7-9-14/h12,14H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyQKFXSAOBQHFPJM-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109332852
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
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
ethyl 4-[[4-(diethylcarbamoyl)-6-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109331937
N-butan-2-yl-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109321370
2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide
CID 109250532
N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 114220233

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide (CID 109321987) is 2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(C)nc(NC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is QKFXSAOBQHFPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-10-21(11-5-2)16(22)15-12-13(3)18-17(20-15)19-14-8-6-7-9-14/h12,14H,4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).