N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine

C18H18F3N5S — CID 75478686

IUPACN-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)N(CCc1nccs1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1
InChIInChI=1S/C18H18F3N5S/c1-12(2)26(9-5-16-23-8-10-27-16)15-11-14(18(19,20)21)24-17(25-15)13-3-6-22-7-4-13/h3-4,6-8,10-12H,5,9H2,1-2H3
InChIKeyMBJIGRAJKCJGOH-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.47
Rot. Bonds6

About N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine

N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 75478686) has the molecular formula C18H18F3N5S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID75478686
Molecular FormulaC18H18F3N5S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)N(CCc1nccs1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1
InChIInChI=1S/C18H18F3N5S/c1-12(2)26(9-5-16-23-8-10-27-16)15-11-14(18(19,20)21)24-17(25-15)13-3-6-22-7-4-13/h3-4,6-8,10-12H,5,9H2,1-2H3
InChIKeyMBJIGRAJKCJGOH-UHFFFAOYSA-N
XLogP4.47
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 75478686) is N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine is CC(C)N(CCc1nccs1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1.
What is the InChIKey of N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MBJIGRAJKCJGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5S/c1-12(2)26(9-5-16-23-8-10-27-16)15-11-14(18(19,20)21)24-17(25-15)13-3-6-22-7-4-13/h3-4,6-8,10-12H,5,9H2,1-2H3.
What are the key properties of N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 393.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-pyridin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 75478686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).