2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

C20H22N4O — CID 112883783

IUPAC2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1nccc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C20H22N4O/c1-3-15(2)22-20-21-14-13-19(24-20)23-17-11-7-8-12-18(17)25-16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H2,21,22,23,24)
InChIKeyZUEUBXVVWNPDLI-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.22
Rot. Bonds7

About 2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112883783) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112883783
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1nccc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C20H22N4O/c1-3-15(2)22-20-21-14-13-19(24-20)23-17-11-7-8-12-18(17)25-16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H2,21,22,23,24)
InChIKeyZUEUBXVVWNPDLI-UHFFFAOYSA-N
XLogP5.22
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112901866
2-[[2-(butan-2-ylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112883798
2-N-[(2-fluorophenyl)methyl]-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891339
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881959
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891495
2-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
CID 112900973
4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine
CID 112888352
4-[[4-(2-methoxyanilino)pyrimidin-2-yl]amino]benzoic acid
CID 70702136
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112883602

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (CID 112883783) is 2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is CCC(C)Nc1nccc(Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is ZUEUBXVVWNPDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-15(2)22-20-21-14-13-19(24-20)23-17-11-7-8-12-18(17)25-16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 334.42 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).