2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C15H24N4O — CID 109362764

IUPAC2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(N2CCCC2)nc(C)n1
InChIInChI=1S/C15H24N4O/c1-3-4-5-8-16-15(20)13-11-14(18-12(2)17-13)19-9-6-7-10-19/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyPWNYEUIWGLQRRR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.31
Rot. Bonds6

About 2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109362764) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID109362764
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(N2CCCC2)nc(C)n1
InChIInChI=1S/C15H24N4O/c1-3-4-5-8-16-15(20)13-11-14(18-12(2)17-13)19-9-6-7-10-19/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyPWNYEUIWGLQRRR-UHFFFAOYSA-N
XLogP2.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109364151
N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109361753
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757
N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852907
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365167
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282
2-methyl-N-propyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109360246
6-(azepan-1-yl)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 112847027
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide
CID 109362582
N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 109362764) is 2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(N2CCCC2)nc(C)n1.
What is the InChIKey of 2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is PWNYEUIWGLQRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-4-5-8-16-15(20)13-11-14(18-12(2)17-13)19-9-6-7-10-19/h11H,3-10H2,1-2H3,(H,16,20).
What are the key properties of 2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).