N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide

C15H22N4O — CID 119456604

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncncc1C(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C15H22N4O/c1-9(2)14-13(7-16-8-17-14)15(20)19-12-5-10-3-4-11(6-12)18-10/h7-12,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyZSVXFBBSJZACMF-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.61
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 119456604) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide
PubChem CID119456604
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncncc1C(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C15H22N4O/c1-9(2)14-13(7-16-8-17-14)15(20)19-12-5-10-3-4-11(6-12)18-10/h7-12,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyZSVXFBBSJZACMF-UHFFFAOYSA-N
XLogP1.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-4-yl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 120601630
N-(4-aminocyclohexyl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 119475953
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide
CID 119458117
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119457171
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119459167
N-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 110848001
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propyl-1,3-thiazole-5-carboxamide
CID 119459660
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119459538
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-nitrobenzamide
CID 61237722
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119459094
N-[2-(methylamino)propyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 120831989
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119458333

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide (CID 119456604) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide is CC(C)c1ncncc1C(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is ZSVXFBBSJZACMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-9(2)14-13(7-16-8-17-14)15(20)19-12-5-10-3-4-11(6-12)18-10/h7-12,18H,3-6H2,1-2H3,(H,19,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 119456604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).