5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine

C19H22F3N5 — CID 172863637

IUPAC5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine
SMILESCC1=C(C)N(C(c2ccccc2)C(F)(F)F)CN=C1NCCc1cn[nH]c1
InChIInChI=1S/C19H22F3N5/c1-13-14(2)27(17(19(20,21)22)16-6-4-3-5-7-16)12-24-18(13)23-9-8-15-10-25-26-11-15/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyZRPSSFCPLGWYHK-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.81
Rot. Bonds5

About 5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine

5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine (PubChem CID 172863637) has the molecular formula C19H22F3N5 and a molecular weight of 377.41 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine
PubChem CID172863637
Molecular FormulaC19H22F3N5
Molecular Weight377.41 g/mol
Exact Mass377.18
IUPAC Name5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine
SMILESCC1=C(C)N(C(c2ccccc2)C(F)(F)F)CN=C1NCCc1cn[nH]c1
InChIInChI=1S/C19H22F3N5/c1-13-14(2)27(17(19(20,21)22)16-6-4-3-5-7-16)12-24-18(13)23-9-8-15-10-25-26-11-15/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyZRPSSFCPLGWYHK-UHFFFAOYSA-N
XLogP3.81
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine (CID 172863637) is 5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine is CC1=C(C)N(C(c2ccccc2)C(F)(F)F)CN=C1NCCc1cn[nH]c1.
What is the InChIKey of 5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine?
The InChIKey is ZRPSSFCPLGWYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5/c1-13-14(2)27(17(19(20,21)22)16-6-4-3-5-7-16)12-24-18(13)23-9-8-15-10-25-26-11-15/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine?
5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine has a molecular weight of 377.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoro-1-phenylethyl)-2H-pyrimidin-4-amine is sourced from PubChem (CID 172863637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).