3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol

C16H22N4O — CID 143453173

IUPAC3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol
SMILESCCC(C)(C)Nc1ncc(C)c(Nc2cccc(O)c2)n1
InChIInChI=1S/C16H22N4O/c1-5-16(3,4)20-15-17-10-11(2)14(19-15)18-12-7-6-8-13(21)9-12/h6-10,21H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyHCKXYJIPQLWPQA-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.83
Rot. Bonds5

About 3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol

3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol (PubChem CID 143453173) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol
PubChem CID143453173
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol
SMILESCCC(C)(C)Nc1ncc(C)c(Nc2cccc(O)c2)n1
InChIInChI=1S/C16H22N4O/c1-5-16(3,4)20-15-17-10-11(2)14(19-15)18-12-7-6-8-13(21)9-12/h6-10,21H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyHCKXYJIPQLWPQA-UHFFFAOYSA-N
XLogP3.83
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol with MolForge

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Related Compounds

4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 143453199
4-N-(1,3-benzodioxol-5-yl)-2-N-tert-butyl-5-methylpyrimidine-2,4-diamine;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenol
CID 158378899
ethyl 2,4-bis(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22060485
N-(3-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118
2-N-ethyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine
CID 66649633
4-N-(4-fluoro-3-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80824532
4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 117088563
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673
5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80768940
ethyl 2-[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]iminoacetate
CID 22061087
3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol
CID 58542289

Frequently Asked Questions

What is the IUPAC name of 3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol?
The IUPAC name of 3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol (CID 143453173) is 3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol is CCC(C)(C)Nc1ncc(C)c(Nc2cccc(O)c2)n1.
What is the InChIKey of 3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol?
The InChIKey is HCKXYJIPQLWPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-16(3,4)20-15-17-10-11(2)14(19-15)18-12-7-6-8-13(21)9-12/h6-10,21H,5H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol?
3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol has a molecular weight of 286.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-2-(2-methylbutan-2-ylamino)pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 143453173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).