4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine

C13H13FN4 — CID 112854982

IUPAC4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C13H13FN4/c1-2-7-15-12-8-13(17-9-16-12)18-11-5-3-10(14)4-6-11/h2-6,8-9H,1,7H2,(H2,15,16,17,18)
InChIKeyDEPPTNBLPNXYTJ-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.96
Rot. Bonds5

About 4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine

4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine (PubChem CID 112854982) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
PubChem CID112854982
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C13H13FN4/c1-2-7-15-12-8-13(17-9-16-12)18-11-5-3-10(14)4-6-11/h2-6,8-9H,1,7H2,(H2,15,16,17,18)
InChIKeyDEPPTNBLPNXYTJ-UHFFFAOYSA-N
XLogP2.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine 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

4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879656
6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112855174
4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864011
4-N-(3,5-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865264
4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854964
4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861434
4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865231
N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861452
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
4-[[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113192877
4-N-(3-bromophenyl)-6-N-[3-(prop-2-enylamino)phenyl]pyrimidine-4,6-diamine
CID 151427006
4-N-(5-chloro-2-methylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854987

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine (CID 112854982) is 4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine is C=CCNc1cc(Nc2ccc(F)cc2)ncn1.
What is the InChIKey of 4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
The InChIKey is DEPPTNBLPNXYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4/c1-2-7-15-12-8-13(17-9-16-12)18-11-5-3-10(14)4-6-11/h2-6,8-9H,1,7H2,(H2,15,16,17,18).
What are the key properties of 4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine has a molecular weight of 244.27 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine is sourced from PubChem (CID 112854982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).