N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C14H17F3N4S — CID 56864914

IUPACN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCC(C)c1nc(CNc2nccc(CCC(F)(F)F)n2)cs1
InChIInChI=1S/C14H17F3N4S/c1-9(2)12-20-11(8-22-12)7-19-13-18-6-4-10(21-13)3-5-14(15,16)17/h4,6,8-9H,3,5,7H2,1-2H3,(H,18,19,21)
InChIKeyLASXKJXYFWZBFZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.16
Rot. Bonds6

About N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56864914) has the molecular formula C14H17F3N4S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56864914
Molecular FormulaC14H17F3N4S
Molecular Weight330.38 g/mol
Exact Mass330.11
IUPAC NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCC(C)c1nc(CNc2nccc(CCC(F)(F)F)n2)cs1
InChIInChI=1S/C14H17F3N4S/c1-9(2)12-20-11(8-22-12)7-19-13-18-6-4-10(21-13)3-5-14(15,16)17/h4,6,8-9H,3,5,7H2,1-2H3,(H,18,19,21)
InChIKeyLASXKJXYFWZBFZ-UHFFFAOYSA-N
XLogP4.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56864914) is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CC(C)c1nc(CNc2nccc(CCC(F)(F)F)n2)cs1.
What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is LASXKJXYFWZBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4S/c1-9(2)12-20-11(8-22-12)7-19-13-18-6-4-10(21-13)3-5-14(15,16)17/h4,6,8-9H,3,5,7H2,1-2H3,(H,18,19,21).
What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 330.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56864914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).