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

C18H18F3N5 — CID 44824552

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(F)(F)F)nc(NCc3cc(C)nn3C)n2)cc1
InChIInChI=1S/C18H18F3N5/c1-11-4-6-13(7-5-11)15-9-16(18(19,20)21)24-17(23-15)22-10-14-8-12(2)25-26(14)3/h4-9H,10H2,1-3H3,(H,22,23,24)
InChIKeyKKYVWTHRDSTWMD-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.12
Rot. Bonds4

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

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44824552) has the molecular formula C18H18F3N5 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44824552
Molecular FormulaC18H18F3N5
Molecular Weight361.37 g/mol
Exact Mass361.15
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(F)(F)F)nc(NCc3cc(C)nn3C)n2)cc1
InChIInChI=1S/C18H18F3N5/c1-11-4-6-13(7-5-11)15-9-16(18(19,20)21)24-17(23-15)22-10-14-8-12(2)25-26(14)3/h4-9H,10H2,1-3H3,(H,22,23,24)
InChIKeyKKYVWTHRDSTWMD-UHFFFAOYSA-N
XLogP4.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 44824552) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is Cc1ccc(-c2cc(C(F)(F)F)nc(NCc3cc(C)nn3C)n2)cc1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KKYVWTHRDSTWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5/c1-11-4-6-13(7-5-11)15-9-16(18(19,20)21)24-17(23-15)22-10-14-8-12(2)25-26(14)3/h4-9H,10H2,1-3H3,(H,22,23,24).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 361.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44824552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).