N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C16H16F3N5S — CID 44821603

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(F)(F)F)nc(NCc3cnn(C)c3C)n2)s1
InChIInChI=1S/C16H16F3N5S/c1-9-4-5-13(25-9)12-6-14(16(17,18)19)23-15(22-12)20-7-11-8-21-24(3)10(11)2/h4-6,8H,7H2,1-3H3,(H,20,22,23)
InChIKeyOKQZTDXQLJAVFG-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.19
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44821603) has the molecular formula C16H16F3N5S and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44821603
Molecular FormulaC16H16F3N5S
Molecular Weight367.40 g/mol
Exact Mass367.11
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(F)(F)F)nc(NCc3cnn(C)c3C)n2)s1
InChIInChI=1S/C16H16F3N5S/c1-9-4-5-13(25-9)12-6-14(16(17,18)19)23-15(22-12)20-7-11-8-21-24(3)10(11)2/h4-6,8H,7H2,1-3H3,(H,20,22,23)
InChIKeyOKQZTDXQLJAVFG-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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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 171314948
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44824533
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106038126
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106041353
4-(1,5-dimethylpyrazol-4-yl)-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 44822001
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103858301
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103846358
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 106049307
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 79579300
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44824552

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 44821603) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is Cc1ccc(-c2cc(C(F)(F)F)nc(NCc3cnn(C)c3C)n2)s1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OKQZTDXQLJAVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5S/c1-9-4-5-13(25-9)12-6-14(16(17,18)19)23-15(22-12)20-7-11-8-21-24(3)10(11)2/h4-6,8H,7H2,1-3H3,(H,20,22,23).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-[(1,5-dimethylpyrazol-4-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-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44821603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).