N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

C9H10F3N3 — CID 126855046

IUPACN-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCC2CC2)ncn1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-3-8(15-5-14-7)13-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,13,14,15)
InChIKeyNUUISZJSOZIAID-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.32
Rot. Bonds3

About N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126855046) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126855046
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC NameN-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCC2CC2)ncn1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-3-8(15-5-14-7)13-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,13,14,15)
InChIKeyNUUISZJSOZIAID-UHFFFAOYSA-N
XLogP2.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 126855046) is N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NCC2CC2)ncn1.
What is the InChIKey of N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NUUISZJSOZIAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)7-3-8(15-5-14-7)13-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,13,14,15).
What are the key properties of N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 217.19 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126855046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).