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

C18H18F3N5S — CID 97018968

IUPACN-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)c1nc([C@@H](C)Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cs1
InChIInChI=1S/C18H18F3N5S/c1-10(2)17-24-13(9-27-17)11(3)23-15-8-14(18(19,20)21)25-16(26-15)12-6-4-5-7-22-12/h4-11H,1-3H3,(H,23,25,26)/t11-/m1/s1
InChIKeyCTVSMKXDNYUYIN-LLVKDONJSA-N
MW393.44 g/mol
LogP5.31
Rot. Bonds5

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

N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 97018968) has the molecular formula C18H18F3N5S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID97018968
Molecular FormulaC18H18F3N5S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)c1nc([C@@H](C)Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cs1
InChIInChI=1S/C18H18F3N5S/c1-10(2)17-24-13(9-27-17)11(3)23-15-8-14(18(19,20)21)25-16(26-15)12-6-4-5-7-22-12/h4-11H,1-3H3,(H,23,25,26)/t11-/m1/s1
InChIKeyCTVSMKXDNYUYIN-LLVKDONJSA-N
XLogP5.31
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 97018968) is N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is CC(C)c1nc([C@@H](C)Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cs1.
What is the InChIKey of N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CTVSMKXDNYUYIN-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18F3N5S/c1-10(2)17-24-13(9-27-17)11(3)23-15-8-14(18(19,20)21)25-16(26-15)12-6-4-5-7-22-12/h4-11H,1-3H3,(H,23,25,26)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 393.44 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 97018968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).