4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine

C9H10F3N3 — CID 143993288

IUPAC4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESC/C=C/Nc1ncc(C(F)(F)F)c(C)n1
InChIInChI=1S/C9H10F3N3/c1-3-4-13-8-14-5-7(6(2)15-8)9(10,11)12/h3-5H,1-2H3,(H,13,14,15)/b4-3+
InChIKeyCRJCZKXXYRAXKV-ONEGZZNKSA-N
MW217.19 g/mol
LogP2.75
Rot. Bonds2

About 4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine

4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 143993288) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID143993288
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESC/C=C/Nc1ncc(C(F)(F)F)c(C)n1
InChIInChI=1S/C9H10F3N3/c1-3-4-13-8-14-5-7(6(2)15-8)9(10,11)12/h3-5H,1-2H3,(H,13,14,15)/b4-3+
InChIKeyCRJCZKXXYRAXKV-ONEGZZNKSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 143993288) is 4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine is C/C=C/Nc1ncc(C(F)(F)F)c(C)n1.
What is the InChIKey of 4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CRJCZKXXYRAXKV-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-3-4-13-8-14-5-7(6(2)15-8)9(10,11)12/h3-5H,1-2H3,(H,13,14,15)/b4-3+.
What are the key properties of 4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 217.19 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 143993288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).