N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide

C16H26N4O — CID 109262837

IUPACN-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C16H26N4O/c1-16(2,3)20-14(21)12-10-17-15(18-11-12)19-13-8-6-4-5-7-9-13/h10-11,13H,4-9H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyLFBYJSNALBGUAR-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.14
Rot. Bonds3

About N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide

N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide (PubChem CID 109262837) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide
PubChem CID109262837
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C16H26N4O/c1-16(2,3)20-14(21)12-10-17-15(18-11-12)19-13-8-6-4-5-7-9-13/h10-11,13H,4-9H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyLFBYJSNALBGUAR-UHFFFAOYSA-N
XLogP3.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109248050
N-tert-butyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298654
2-(tert-butylamino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249591
5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109106897
N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332725
2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109250548
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731
1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254645
2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256112
2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253363
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109263201

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide (CID 109262837) is N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide is CC(C)(C)NC(=O)c1cnc(NC2CCCCCC2)nc1.
What is the InChIKey of N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide?
The InChIKey is LFBYJSNALBGUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)20-14(21)12-10-17-15(18-11-12)19-13-8-6-4-5-7-9-13/h10-11,13H,4-9H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide?
N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).