4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane

C16H24N4O — CID 143939187

IUPAC4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane
SMILESCC.CC(C)(C)Nc1nccc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C14H18N4O.C2H6/c1-14(2,3)18-13-15-9-8-12(17-13)16-10-4-6-11(19)7-5-10;1-2/h4-9,19H,1-3H3,(H2,15,16,17,18);1-2H3
InChIKeyFCNBTWHDEGIRQA-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.16
Rot. Bonds3

About 4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane

4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane (PubChem CID 143939187) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane.

Molecular Properties

Compound Name4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane
PubChem CID143939187
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane
SMILESCC.CC(C)(C)Nc1nccc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C14H18N4O.C2H6/c1-14(2,3)18-13-15-9-8-12(17-13)16-10-4-6-11(19)7-5-10;1-2/h4-9,19H,1-3H3,(H2,15,16,17,18);1-2H3
InChIKeyFCNBTWHDEGIRQA-UHFFFAOYSA-N
XLogP4.16
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-N-tert-butyl-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899845
4-[[4-(tert-butylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112899790
methyl 4-[[4-(tert-butylamino)pyrimidin-2-yl]amino]benzoate
CID 112899747
2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899847
4-N-tert-butyl-2-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899778
1-[4-[[4-(4-tert-butylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903389
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
4-[[4-[[2-(tert-butylamino)cyclobuten-1-yl]amino]pyrimidin-2-yl]amino]-2-methylphenol
CID 141190026
acetylene;1-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-2-methylpropan-2-ol
CID 143131648
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991
2-N-tert-butyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112899832
4-N-(4-tert-butylphenyl)-2-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112903406

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane?
The IUPAC name of 4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane (CID 143939187) is 4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane.
What is the SMILES notation for 4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane?
The canonical SMILES for 4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane is CC.CC(C)(C)Nc1nccc(Nc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane?
The InChIKey is FCNBTWHDEGIRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.C2H6/c1-14(2,3)18-13-15-9-8-12(17-13)16-10-4-6-11(19)7-5-10;1-2/h4-9,19H,1-3H3,(H2,15,16,17,18);1-2H3.
What are the key properties of 4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane?
4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane has a molecular weight of 288.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(tert-butylamino)pyrimidin-4-yl]amino]phenol;ethane is sourced from PubChem (CID 143939187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).