N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride

C16H27ClN4O2 — CID 137146558

IUPACN-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-9-12(14(22)20-15(18-9)16(2,3)4)13(21)19-11-7-5-10(17)6-8-11;/h10-11H,5-8,17H2,1-4H3,(H,19,21)(H,18,20,22);1H
InChIKeyGFHCSFDXKXHUSQ-UHFFFAOYSA-N
MW342.87 g/mol
LogP1.80
Rot. Bonds2

About N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride (PubChem CID 137146558) has the molecular formula C16H27ClN4O2 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
PubChem CID137146558
Molecular FormulaC16H27ClN4O2
Molecular Weight342.87 g/mol
Exact Mass342.18
IUPAC NameN-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-9-12(14(22)20-15(18-9)16(2,3)4)13(21)19-11-7-5-10(17)6-8-11;/h10-11H,5-8,17H2,1-4H3,(H,19,21)(H,18,20,22);1H
InChIKeyGFHCSFDXKXHUSQ-UHFFFAOYSA-N
XLogP1.80
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride with MolForge

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Related Compounds

2-tert-butyl-4-methyl-6-oxo-N-[(3S)-piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 137127732
N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137132790
2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137095563
N-(3-aminopropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137052613
N-(3-amino-2,2-difluoropropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137081389
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-cyclohexyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911212
N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136890080
2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 135881426
2-tert-butyl-5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride
CID 137030069
2-tert-butyl-4-methyl-5-[4-[2-(methylamino)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 137152242
2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 137152238

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride (CID 137146558) is N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is GFHCSFDXKXHUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.ClH/c1-9-12(14(22)20-15(18-9)16(2,3)4)13(21)19-11-7-5-10(17)6-8-11;/h10-11H,5-8,17H2,1-4H3,(H,19,21)(H,18,20,22);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 137146558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).