2-propyl-4-(trifluoromethyl)pyrimidin-5-amine

C8H10F3N3 — CID 126974187

IUPAC2-propyl-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCCCc1ncc(N)c(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-2-3-6-13-4-5(12)7(14-6)8(9,10)11/h4H,2-3,12H2,1H3
InChIKeySJCYNMKHUAWDIL-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.03
Rot. Bonds2

About 2-propyl-4-(trifluoromethyl)pyrimidin-5-amine

2-propyl-4-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 126974187) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-propyl-4-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-propyl-4-(trifluoromethyl)pyrimidin-5-amine
PubChem CID126974187
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name2-propyl-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCCCc1ncc(N)c(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-2-3-6-13-4-5(12)7(14-6)8(9,10)11/h4H,2-3,12H2,1H3
InChIKeySJCYNMKHUAWDIL-UHFFFAOYSA-N
XLogP2.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-propyl-4-(trifluoromethyl)pyrimidin-5-amine (CID 126974187) is 2-propyl-4-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-propyl-4-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-propyl-4-(trifluoromethyl)pyrimidin-5-amine is CCCc1ncc(N)c(C(F)(F)F)n1.
What is the InChIKey of 2-propyl-4-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is SJCYNMKHUAWDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-2-3-6-13-4-5(12)7(14-6)8(9,10)11/h4H,2-3,12H2,1H3.
What are the key properties of 2-propyl-4-(trifluoromethyl)pyrimidin-5-amine?
2-propyl-4-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 205.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 126974187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).