4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

C19H20F3N5 — CID 44821825

IUPAC4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccnn3CC)n2)cc1
InChIInChI=1S/C19H20F3N5/c1-3-13-5-7-14(8-6-13)16-11-17(19(20,21)22)26-18(25-16)23-12-15-9-10-24-27(15)4-2/h5-11H,3-4,12H2,1-2H3,(H,23,25,26)
InChIKeyBNGIZCBXHKRHGZ-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.55
Rot. Bonds6

About 4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44821825) has the molecular formula C19H20F3N5 and a molecular weight of 375.40 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44821825
Molecular FormulaC19H20F3N5
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC Name4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccnn3CC)n2)cc1
InChIInChI=1S/C19H20F3N5/c1-3-13-5-7-14(8-6-13)16-11-17(19(20,21)22)26-18(25-16)23-12-15-9-10-24-27(15)4-2/h5-11H,3-4,12H2,1-2H3,(H,23,25,26)
InChIKeyBNGIZCBXHKRHGZ-UHFFFAOYSA-N
XLogP4.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 44821825) is 4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine is CCc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccnn3CC)n2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BNGIZCBXHKRHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5/c1-3-13-5-7-14(8-6-13)16-11-17(19(20,21)22)26-18(25-16)23-12-15-9-10-24-27(15)4-2/h5-11H,3-4,12H2,1-2H3,(H,23,25,26).
What are the key properties of 4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 375.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44821825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).