2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine

C20H19FN4 — CID 112933264

IUPAC2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1cc(-c2ccccc2)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN4/c1-2-12-22-19-13-18(16-6-4-3-5-7-16)24-20(25-19)23-14-15-8-10-17(21)11-9-15/h2-11,13H,1,12,14H2,(H2,22,23,24,25)
InChIKeyCSSIIYXUCNJMDN-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.49
Rot. Bonds7

About 2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine

2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112933264) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112933264
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Name2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1cc(-c2ccccc2)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN4/c1-2-12-22-19-13-18(16-6-4-3-5-7-16)24-20(25-19)23-14-15-8-10-17(21)11-9-15/h2-11,13H,1,12,14H2,(H2,22,23,24,25)
InChIKeyCSSIIYXUCNJMDN-UHFFFAOYSA-N
XLogP4.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933268
2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933276
2-N-[2-(4-chlorophenyl)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933289
4-N-[(4-fluorophenyl)methyl]-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937000
4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112932919
2-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933302
4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112937018
2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933250
4-N-(3-chloro-4-fluorophenyl)-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933484
4-N-[(4-fluorophenyl)methyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882681
4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879656
4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933451

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine (CID 112933264) is 2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1cc(-c2ccccc2)nc(NCc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is CSSIIYXUCNJMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c1-2-12-22-19-13-18(16-6-4-3-5-7-16)24-20(25-19)23-14-15-8-10-17(21)11-9-15/h2-11,13H,1,12,14H2,(H2,22,23,24,25).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 334.40 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).