2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine

C15H19FN4 — CID 112900364

IUPAC2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1ccnc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-2-3-4-10-17-14-9-11-18-15(20-14)19-13-7-5-12(16)6-8-13/h5-9,11H,2-4,10H2,1H3,(H2,17,18,19,20)
InChIKeyXZWKHCXZTJKENW-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.96
Rot. Bonds7

About 2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine

2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine (PubChem CID 112900364) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine
PubChem CID112900364
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1ccnc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-2-3-4-10-17-14-9-11-18-15(20-14)19-13-7-5-12(16)6-8-13/h5-9,11H,2-4,10H2,1H3,(H2,17,18,19,20)
InChIKeyXZWKHCXZTJKENW-UHFFFAOYSA-N
XLogP3.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900354
4-N-butyl-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112882820
4-[[4-(butylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112882981
2-N-(4-bromo-3-methylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900416
2-N-(4-tert-butylphenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894726
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
2-N-(3-bromo-4-methylphenyl)-4-N-butylpyrimidine-2,4-diamine
CID 112882918
2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900381
N-[4-[[4-[2-(4-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 112894757
4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112887656
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
4-fluoro-N-heptylaniline
CID 43129312

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine (CID 112900364) is 2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine is CCCCCNc1ccnc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine?
The InChIKey is XZWKHCXZTJKENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-2-3-4-10-17-14-9-11-18-15(20-14)19-13-7-5-12(16)6-8-13/h5-9,11H,2-4,10H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine?
2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.96, 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)-4-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 112900364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).