N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C16H26N4O2 — CID 137077502

IUPACN-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCCC1CN
InChIInChI=1S/C16H26N4O2/c1-9-12(14(22)20-15(18-9)16(2,3)4)13(21)19-11-7-5-6-10(11)8-17/h10-11H,5-8,17H2,1-4H3,(H,19,21)(H,18,20,22)
InChIKeySNSLQJFLFMSZCG-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.23
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 137077502) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID137077502
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCCC1CN
InChIInChI=1S/C16H26N4O2/c1-9-12(14(22)20-15(18-9)16(2,3)4)13(21)19-11-7-5-6-10(11)8-17/h10-11H,5-8,17H2,1-4H3,(H,19,21)(H,18,20,22)
InChIKeySNSLQJFLFMSZCG-UHFFFAOYSA-N
XLogP1.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137146558
2-tert-butyl-N-[(1S,5S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 155954991
N-(3-aminopropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137052613
N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119612413
N-(3-amino-2,2-difluoropropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137081389
N-[2-(hydroxymethyl)cyclopentyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103759059
2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137095563
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610117
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119611691
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 137077502) is N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is SNSLQJFLFMSZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-9-12(14(22)20-15(18-9)16(2,3)4)13(21)19-11-7-5-6-10(11)8-17/h10-11H,5-8,17H2,1-4H3,(H,19,21)(H,18,20,22).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 137077502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).