N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide

C14H22N4O — CID 119475953

IUPACN-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncncc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C14H22N4O/c1-9(2)13-12(7-16-8-17-13)14(19)18-11-5-3-10(15)4-6-11/h7-11H,3-6,15H2,1-2H3,(H,18,19)
InChIKeyXFEJIRUNJWLZLN-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.60
Rot. Bonds3

About N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide

N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 119475953) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide
PubChem CID119475953
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncncc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C14H22N4O/c1-9(2)13-12(7-16-8-17-13)14(19)18-11-5-3-10(15)4-6-11/h7-11H,3-6,15H2,1-2H3,(H,18,19)
InChIKeyXFEJIRUNJWLZLN-UHFFFAOYSA-N
XLogP1.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 119456604
N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 120601630
N-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 110848001
N-(2-amino-1-cyclohexylethyl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
CID 119590078
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 120831989
N-(4-aminocyclohexyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119477098
N-(4-aminocyclohexyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119476558
5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide
CID 117213743
cis-(1R,3S)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677737
cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675402

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide (CID 119475953) is N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide is CC(C)c1ncncc1C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is XFEJIRUNJWLZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9(2)13-12(7-16-8-17-13)14(19)18-11-5-3-10(15)4-6-11/h7-11H,3-6,15H2,1-2H3,(H,18,19).
What are the key properties of N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide?
N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 119475953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).