6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine

C19H19FN4 — CID 112861309

IUPAC6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCN(c1ccccc1)c1cc(NCCc2ccccc2F)ncn1
InChIInChI=1S/C19H19FN4/c1-24(16-8-3-2-4-9-16)19-13-18(22-14-23-19)21-12-11-15-7-5-6-10-17(15)20/h2-10,13-14H,11-12H2,1H3,(H,21,22,23)
InChIKeyKUXZPIVJIGDKBY-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.04
Rot. Bonds6

About 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine

6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112861309) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112861309
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCN(c1ccccc1)c1cc(NCCc2ccccc2F)ncn1
InChIInChI=1S/C19H19FN4/c1-24(16-8-3-2-4-9-16)19-13-18(22-14-23-19)21-12-11-15-7-5-6-10-17(15)20/h2-10,13-14H,11-12H2,1H3,(H,21,22,23)
InChIKeyKUXZPIVJIGDKBY-UHFFFAOYSA-N
XLogP4.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112894601
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861272
4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861294
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66325709
N-[3-fluoro-2-[[[6-(N-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 167844358
6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863765
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861279
4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860925
N-[4-[[6-[2-(2-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861347
4-N-(2,5-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861313
4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112856213

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine (CID 112861309) is 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine is CN(c1ccccc1)c1cc(NCCc2ccccc2F)ncn1.
What is the InChIKey of 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is KUXZPIVJIGDKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-24(16-8-3-2-4-9-16)19-13-18(22-14-23-19)21-12-11-15-7-5-6-10-17(15)20/h2-10,13-14H,11-12H2,1H3,(H,21,22,23).
What are the key properties of 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 322.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112861309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).