N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol

C21H31N5O3 — CID 166481588

IUPACN-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol
SMILESCC(C)O.Cn1cncc1-c1nc(C(=O)NC2CCC2)cc(C2CCOCC2)n1
InChIInChI=1S/C18H23N5O2.C3H8O/c1-23-11-19-10-16(23)17-21-14(12-5-7-25-8-6-12)9-15(22-17)18(24)20-13-3-2-4-13;1-3(2)4/h9-13H,2-8H2,1H3,(H,20,24);3-4H,1-2H3
InChIKeyGYGGXZROBKQMBW-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.44
Rot. Bonds4

About N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol

N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol (PubChem CID 166481588) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol.

Molecular Properties

Compound NameN-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol
PubChem CID166481588
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC NameN-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol
SMILESCC(C)O.Cn1cncc1-c1nc(C(=O)NC2CCC2)cc(C2CCOCC2)n1
InChIInChI=1S/C18H23N5O2.C3H8O/c1-23-11-19-10-16(23)17-21-14(12-5-7-25-8-6-12)9-15(22-17)18(24)20-13-3-2-4-13;1-3(2)4/h9-13H,2-8H2,1H3,(H,20,24);3-4H,1-2H3
InChIKeyGYGGXZROBKQMBW-UHFFFAOYSA-N
XLogP2.44
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxycyclohexyl)-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide
CID 166481300
2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 166481504
6-cyclobutyl-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
CID 166481158
6-(4,4-difluorocyclohexyl)-N-[6-(difluoromethyl)-3-pyridinyl]-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
CID 166481298
N-cyclohexyl-6-(4,4-difluoro-1-hydroxycyclohexyl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;methanol
CID 166480907
N-[4-(difluoromethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide
CID 166481701
N-cyclohexyl-6-(3-methylimidazol-4-yl)pyrazine-2-carboxamide;difluoromethane
CID 166481244
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide
CID 166481201
2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol
CID 166481650
N-(2,2-difluorospiro[3.3]heptan-6-yl)-6-fluoro-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2-(fluoromethyl)but-1-ene;molecular hydrogen
CID 166481252
6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 166481063

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol?
The IUPAC name of N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol (CID 166481588) is N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol.
What is the SMILES notation for N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol?
The canonical SMILES for N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol is CC(C)O.Cn1cncc1-c1nc(C(=O)NC2CCC2)cc(C2CCOCC2)n1.
What is the InChIKey of N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol?
The InChIKey is GYGGXZROBKQMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.C3H8O/c1-23-11-19-10-16(23)17-21-14(12-5-7-25-8-6-12)9-15(22-17)18(24)20-13-3-2-4-13;1-3(2)4/h9-13H,2-8H2,1H3,(H,20,24);3-4H,1-2H3.
What are the key properties of N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol?
N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol has a molecular weight of 401.51 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol is sourced from PubChem (CID 166481588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).