4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine

C16H21FN4 — CID 112883371

IUPAC4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1nccc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C16H21FN4/c1-12(2)11-20-16-19-10-8-15(21-16)18-9-7-13-3-5-14(17)6-4-13/h3-6,8,10,12H,7,9,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyHTMFVRKLLCEDGZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.34
Rot. Bonds7

About 4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine

4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 112883371) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID112883371
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1nccc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C16H21FN4/c1-12(2)11-20-16-19-10-8-15(21-16)18-9-7-13-3-5-14(17)6-4-13/h3-6,8,10,12H,7,9,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyHTMFVRKLLCEDGZ-UHFFFAOYSA-N
XLogP3.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-tert-butyl-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894693
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509
2-N-(4-tert-butylphenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894726
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112894692
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893666
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908502
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
N-[4-[[4-[2-(4-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 112894757
4-N-butyl-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112882820
2-N-(2-ethyl-6-methylphenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894721
2-N-[(4-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883171
4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797099

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 112883371) is 4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)CNc1nccc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is HTMFVRKLLCEDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-12(2)11-20-16-19-10-8-15(21-16)18-9-7-13-3-5-14(17)6-4-13/h3-6,8,10,12H,7,9,11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).