2,6-difluoro-N-prop-2-enylpyrimidin-4-amine

C7H7F2N3 — CID 164647775

IUPAC2,6-difluoro-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(F)nc(F)n1
InChIInChI=1S/C7H7F2N3/c1-2-3-10-6-4-5(8)11-7(9)12-6/h2,4H,1,3H2,(H,10,11,12)
InChIKeyRDDBARIQAVWJCV-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.35
Rot. Bonds3

About 2,6-difluoro-N-prop-2-enylpyrimidin-4-amine

2,6-difluoro-N-prop-2-enylpyrimidin-4-amine (PubChem CID 164647775) has the molecular formula C7H7F2N3 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2,6-difluoro-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name2,6-difluoro-N-prop-2-enylpyrimidin-4-amine
PubChem CID164647775
Molecular FormulaC7H7F2N3
Molecular Weight171.15 g/mol
Exact Mass171.06
IUPAC Name2,6-difluoro-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(F)nc(F)n1
InChIInChI=1S/C7H7F2N3/c1-2-3-10-6-4-5(8)11-7(9)12-6/h2,4H,1,3H2,(H,10,11,12)
InChIKeyRDDBARIQAVWJCV-UHFFFAOYSA-N
XLogP1.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,6-difluoro-N-prop-2-enylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-Triaminopyrimidine
CID 13863
2-(Trifluoromethyl)pyrimidin-4-amine
CID 244056
2-Fluoropyrimidin-4-amine
CID 339392
2,6-difluoro-N-methylpyrimidin-4-amine
CID 3941302
4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine
CID 79006691
N,N,N-Triisobutyl-pyrimidine-2,4,6-triamine
CID 25128814
6-Fluoro-4-pyrimidinamine
CID 574613
2,6-difluoro-N,N-dimethylpyrimidin-4-amine
CID 594436
N-ethyl-4,6-difluoropyrimidin-2-amine
CID 676431
N4-butyl-6-fluoropyrimidine-2,4-diamine
CID 2780461
2,4-Diamino-6-(cyclopropylamino)pyrimidin-1-ium
CID 45485280
4-N-butylpyrimidine-2,4,6-triamine
CID 80785316

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 2,6-difluoro-N-prop-2-enylpyrimidin-4-amine (CID 164647775) is 2,6-difluoro-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 2,6-difluoro-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 2,6-difluoro-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(F)nc(F)n1.
What is the InChIKey of 2,6-difluoro-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is RDDBARIQAVWJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3/c1-2-3-10-6-4-5(8)11-7(9)12-6/h2,4H,1,3H2,(H,10,11,12).
What are the key properties of 2,6-difluoro-N-prop-2-enylpyrimidin-4-amine?
2,6-difluoro-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 171.15 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 164647775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).