[1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine

C10H10F3N5 — CID 146195236

IUPAC[1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine
SMILESCc1cnc(C(F)(F)F)nc1-n1cc(CN)cn1
InChIInChI=1S/C10H10F3N5/c1-6-3-15-9(10(11,12)13)17-8(6)18-5-7(2-14)4-16-18/h3-5H,2,14H2,1H3
InChIKeyYCXXJDHHRCMGAW-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.45
Rot. Bonds2

About [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine

[1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine (PubChem CID 146195236) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine
PubChem CID146195236
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name[1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine
SMILESCc1cnc(C(F)(F)F)nc1-n1cc(CN)cn1
InChIInChI=1S/C10H10F3N5/c1-6-3-15-9(10(11,12)13)17-8(6)18-5-7(2-14)4-16-18/h3-5H,2,14H2,1H3
InChIKeyYCXXJDHHRCMGAW-UHFFFAOYSA-N
XLogP1.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine?
The IUPAC name of [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine (CID 146195236) is [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine?
The canonical SMILES for [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine is Cc1cnc(C(F)(F)F)nc1-n1cc(CN)cn1.
What is the InChIKey of [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine?
The InChIKey is YCXXJDHHRCMGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-6-3-15-9(10(11,12)13)17-8(6)18-5-7(2-14)4-16-18/h3-5H,2,14H2,1H3.
What are the key properties of [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine?
[1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine has a molecular weight of 257.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 146195236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).