N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine

C16H13F3N4OS — CID 44589516

IUPACN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCC1=CN=C(S1)C2=NC(=NC=C2)NC3=CC(=CC(=C3)C(F)(F)F)OC
InChIInChI=1S/C16H13F3N4OS/c1-9-8-21-14(25-9)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(7-11)24-2/h3-8H,1-2H3,(H,20,22,23)
InChIKeyZCPTVEVIYXDFQI-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.10
Rot. Bonds4

About N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine

N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine (PubChem CID 44589516) has the molecular formula C16H13F3N4OS and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine
PubChem CID44589516
Molecular FormulaC16H13F3N4OS
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCC1=CN=C(S1)C2=NC(=NC=C2)NC3=CC(=CC(=C3)C(F)(F)F)OC
InChIInChI=1S/C16H13F3N4OS/c1-9-8-21-14(25-9)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(7-11)24-2/h3-8H,1-2H3,(H,20,22,23)
InChIKeyZCPTVEVIYXDFQI-UHFFFAOYSA-N
XLogP4.10
TPSA88.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity442

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine (CID 44589516) is N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine is CC1=CN=C(S1)C2=NC(=NC=C2)NC3=CC(=CC(=C3)C(F)(F)F)OC.
What is the InChIKey of N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine?
The InChIKey is ZCPTVEVIYXDFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-9-8-21-14(25-9)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(7-11)24-2/h3-8H,1-2H3,(H,20,22,23).
What are the key properties of N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine?
N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine has a molecular weight of 366.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 44589516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).