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

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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).