3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide

C14H22N4O — CID 119752747

IUPAC3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide
SMILESCC(C)(C)c1ncc(NC(=O)C2CCC(N)C2)cn1
InChIInChI=1S/C14H22N4O/c1-14(2,3)13-16-7-11(8-17-13)18-12(19)9-4-5-10(15)6-9/h7-10H,4-6,15H2,1-3H3,(H,18,19)
InChIKeyOFGXUSCEHAPHSB-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.84
Rot. Bonds2

About 3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide

3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide (PubChem CID 119752747) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide
PubChem CID119752747
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide
SMILESCC(C)(C)c1ncc(NC(=O)C2CCC(N)C2)cn1
InChIInChI=1S/C14H22N4O/c1-14(2,3)13-16-7-11(8-17-13)18-12(19)9-4-5-10(15)6-9/h7-10H,4-6,15H2,1-3H3,(H,18,19)
InChIKeyOFGXUSCEHAPHSB-UHFFFAOYSA-N
XLogP1.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987564
N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119305621
N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 119752791
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
2-[5-[(3-aminocyclopentanecarbonyl)amino]-2-pyridinyl]acetic acid
CID 107341071
N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 146121815
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
3-amino-N-thiophen-3-ylcyclopentane-1-carboxamide
CID 66350210
dimethyl 5-[(3-aminocyclopentanecarbonyl)amino]benzene-1,3-dicarboxylate
CID 119673682
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide (CID 119752747) is 3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide is CC(C)(C)c1ncc(NC(=O)C2CCC(N)C2)cn1.
What is the InChIKey of 3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide?
The InChIKey is OFGXUSCEHAPHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,3)13-16-7-11(8-17-13)18-12(19)9-4-5-10(15)6-9/h7-10H,4-6,15H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide?
3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119752747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).