2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide

C16H26N4O2 — CID 109251731

IUPAC2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C16H26N4O2/c1-22-10-6-9-17-15(21)13-11-18-16(19-12-13)20-14-7-4-2-3-5-8-14/h11-12,14H,2-10H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyNYNPDBLHUATFAS-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.38
Rot. Bonds7

About 2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide

2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide (PubChem CID 109251731) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
PubChem CID109251731
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C16H26N4O2/c1-22-10-6-9-17-15(21)13-11-18-16(19-12-13)20-14-7-4-2-3-5-8-14/h11-12,14H,2-10H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyNYNPDBLHUATFAS-UHFFFAOYSA-N
XLogP2.38
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109248050
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253363
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067
N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251671
2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 59421319
N-butyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 20972697
N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250092
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301
2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256112
4-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206087

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide (CID 109251731) is 2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide is COCCCNC(=O)c1cnc(NC2CCCCCC2)nc1.
What is the InChIKey of 2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide?
The InChIKey is NYNPDBLHUATFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-22-10-6-9-17-15(21)13-11-18-16(19-12-13)20-14-7-4-2-3-5-8-14/h11-12,14H,2-10H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide?
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).