4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine

C13H14FN5 — CID 19135993

IUPAC4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
SMILESC=CCNc1ncnc(Nc2ccccc2F)c1N
InChIInChI=1S/C13H14FN5/c1-2-7-16-12-11(15)13(18-8-17-12)19-10-6-4-3-5-9(10)14/h2-6,8H,1,7,15H2,(H2,16,17,18,19)
InChIKeyHUBZIDOEFHBCQH-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.54
Rot. Bonds5

About 4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine

4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine (PubChem CID 19135993) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
PubChem CID19135993
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
SMILESC=CCNc1ncnc(Nc2ccccc2F)c1N
InChIInChI=1S/C13H14FN5/c1-2-7-16-12-11(15)13(18-8-17-12)19-10-6-4-3-5-9(10)14/h2-6,8H,1,7,15H2,(H2,16,17,18,19)
InChIKeyHUBZIDOEFHBCQH-UHFFFAOYSA-N
XLogP2.54
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-fluorophenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19145262
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22542555
4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22544255
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286
6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 90136224
5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760868
4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540214
6-N-(4-butylphenyl)-4-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22540036
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
4-N-(2-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138559
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540447
4-N-(2-fluorophenyl)quinazoline-4,6-diamine
CID 11379777

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine (CID 19135993) is 4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine is C=CCNc1ncnc(Nc2ccccc2F)c1N.
What is the InChIKey of 4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The InChIKey is HUBZIDOEFHBCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-2-7-16-12-11(15)13(18-8-17-12)19-10-6-4-3-5-9(10)14/h2-6,8H,1,7,15H2,(H2,16,17,18,19).
What are the key properties of 4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine has a molecular weight of 259.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).