N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine

C18H18N4OS — CID 170574382

IUPACN-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine
SMILESc1ccc(-c2nc(-c3ccnc(NC4CCOCC4)n3)cs2)cc1
InChIInChI=1S/C18H18N4OS/c1-2-4-13(5-3-1)17-21-16(12-24-17)15-6-9-19-18(22-15)20-14-7-10-23-11-8-14/h1-6,9,12,14H,7-8,10-11H2,(H,19,20,22)
InChIKeyDOHLCCHECFINPL-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.86
Rot. Bonds4

About N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine

N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine (PubChem CID 170574382) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine
PubChem CID170574382
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine
SMILESc1ccc(-c2nc(-c3ccnc(NC4CCOCC4)n3)cs2)cc1
InChIInChI=1S/C18H18N4OS/c1-2-4-13(5-3-1)17-21-16(12-24-17)15-6-9-19-18(22-15)20-14-7-10-23-11-8-14/h1-6,9,12,14H,7-8,10-11H2,(H,19,20,22)
InChIKeyDOHLCCHECFINPL-UHFFFAOYSA-N
XLogP3.86
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one
CID 170573794
N-[[(2R)-7-oxa-1-thiaspiro[2.4]heptan-2-yl]methyl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 170574412
3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 170574110
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol
CID 170574457
4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 46988994
sodium;3-hydroxy-1-methylpyrrolidin-2-one;oxolane;2-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]prop-2-enylideneazanide
CID 170573765
N-(oxan-4-yl)-4-[3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine
CID 118216625
4-[3-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 118216781
4-[[4-[2-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]amino]cyclohexane-1-carbonitrile
CID 170574096
N-(oxan-4-yl)quinazolin-2-amine
CID 114788886
2-(oxan-4-ylamino)pyrimidine-4-carbothioamide
CID 107546679

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine (CID 170574382) is N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine is c1ccc(-c2nc(-c3ccnc(NC4CCOCC4)n3)cs2)cc1.
What is the InChIKey of N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine?
The InChIKey is DOHLCCHECFINPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-2-4-13(5-3-1)17-21-16(12-24-17)15-6-9-19-18(22-15)20-14-7-10-23-11-8-14/h1-6,9,12,14H,7-8,10-11H2,(H,19,20,22).
What are the key properties of N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine?
N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine has a molecular weight of 338.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 170574382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).