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

C16H21FN4 — CID 112883701

IUPAC2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCC(C)Nc1nccc(NCCc2ccccc2F)n1
InChIInChI=1S/C16H21FN4/c1-3-12(2)20-16-19-11-9-15(21-16)18-10-8-13-6-4-5-7-14(13)17/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyXEFZGWCVTOQPMC-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.48
Rot. Bonds7

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

2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112883701) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID112883701
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCC(C)Nc1nccc(NCCc2ccccc2F)n1
InChIInChI=1S/C16H21FN4/c1-3-12(2)20-16-19-11-9-15(21-16)18-10-8-13-6-4-5-7-14(13)17/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyXEFZGWCVTOQPMC-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892529
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892117
1-[4-[[4-[2-(2-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]ethanone
CID 112894525
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
4-N-[(4-chlorophenyl)methyl]-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112891882
N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888098
4-N-[2-(3-chlorophenyl)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894599
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112891121

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine (CID 112883701) is 2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine is CCC(C)Nc1nccc(NCCc2ccccc2F)n1.
What is the InChIKey of 2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is XEFZGWCVTOQPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-3-12(2)20-16-19-11-9-15(21-16)18-10-8-13-6-4-5-7-14(13)17/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112883701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).