2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine

C11H10ClF3N4S — CID 114562642

IUPAC2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ncsc1CN(C)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H10ClF3N4S/c1-6-7(20-5-16-6)4-19(2)9-3-8(11(13,14)15)17-10(12)18-9/h3,5H,4H2,1-2H3
InChIKeyFDVFJNOMMRXXCZ-UHFFFAOYSA-N
MW322.74 g/mol
LogP3.55
Rot. Bonds3

About 2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562642) has the molecular formula C11H10ClF3N4S and a molecular weight of 322.74 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562642
Molecular FormulaC11H10ClF3N4S
Molecular Weight322.74 g/mol
Exact Mass322.03
IUPAC Name2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ncsc1CN(C)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H10ClF3N4S/c1-6-7(20-5-16-6)4-19(2)9-3-8(11(13,14)15)17-10(12)18-9/h3,5H,4H2,1-2H3
InChIKeyFDVFJNOMMRXXCZ-UHFFFAOYSA-N
XLogP3.55
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562642) is 2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1ncsc1CN(C)c1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FDVFJNOMMRXXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4S/c1-6-7(20-5-16-6)4-19(2)9-3-8(11(13,14)15)17-10(12)18-9/h3,5H,4H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 322.74 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).