N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

C9H8F3N5 — CID 80868893

IUPACN-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCNc1cc(-n2cc(C(F)(F)F)cn2)ncn1
InChIInChI=1S/C9H8F3N5/c1-13-7-2-8(15-5-14-7)17-4-6(3-16-17)9(10,11)12/h2-5H,1H3,(H,13,14,15)
InChIKeyMUKGWHUVKBGIQV-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.72
Rot. Bonds2

About N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 80868893) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID80868893
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC NameN-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCNc1cc(-n2cc(C(F)(F)F)cn2)ncn1
InChIInChI=1S/C9H8F3N5/c1-13-7-2-8(15-5-14-7)17-4-6(3-16-17)9(10,11)12/h2-5H,1H3,(H,13,14,15)
InChIKeyMUKGWHUVKBGIQV-UHFFFAOYSA-N
XLogP1.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 80868893) is N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is CNc1cc(-n2cc(C(F)(F)F)cn2)ncn1.
What is the InChIKey of N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is MUKGWHUVKBGIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c1-13-7-2-8(15-5-14-7)17-4-6(3-16-17)9(10,11)12/h2-5H,1H3,(H,13,14,15).
What are the key properties of N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 243.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80868893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).