N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C16H16F3N5S — CID 44824533

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(CNc2nc(-c3ccc(C)s3)cc(C(F)(F)F)n2)n(C)n1
InChIInChI=1S/C16H16F3N5S/c1-9-6-11(24(3)23-9)8-20-15-21-12(13-5-4-10(2)25-13)7-14(22-15)16(17,18)19/h4-7H,8H2,1-3H3,(H,20,21,22)
InChIKeyNDKRGUYDQJEIMU-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.19
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44824533) has the molecular formula C16H16F3N5S and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44824533
Molecular FormulaC16H16F3N5S
Molecular Weight367.40 g/mol
Exact Mass367.11
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(CNc2nc(-c3ccc(C)s3)cc(C(F)(F)F)n2)n(C)n1
InChIInChI=1S/C16H16F3N5S/c1-9-6-11(24(3)23-9)8-20-15-21-12(13-5-4-10(2)25-13)7-14(22-15)16(17,18)19/h4-7H,8H2,1-3H3,(H,20,21,22)
InChIKeyNDKRGUYDQJEIMU-UHFFFAOYSA-N
XLogP4.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 44824533) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(CNc2nc(-c3ccc(C)s3)cc(C(F)(F)F)n2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NDKRGUYDQJEIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5S/c1-9-6-11(24(3)23-9)8-20-15-21-12(13-5-4-10(2)25-13)7-14(22-15)16(17,18)19/h4-7H,8H2,1-3H3,(H,20,21,22).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 367.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44824533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).