2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol

C16H30N4O — CID 80993309

IUPAC2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
SMILESCCNc1nc(C(C)(C)C)nc(N(CCO)C(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-8-17-13-12(4)14(20(9-10-21)11(2)3)19-15(18-13)16(5,6)7/h11,21H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyHXHXVEDPCCRKEB-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds6

About 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol

2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol (PubChem CID 80993309) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
PubChem CID80993309
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
SMILESCCNc1nc(C(C)(C)C)nc(N(CCO)C(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-8-17-13-12(4)14(20(9-10-21)11(2)3)19-15(18-13)16(5,6)7/h11,21H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyHXHXVEDPCCRKEB-UHFFFAOYSA-N
XLogP2.72
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80993315
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80983153
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972296
2-tert-butyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80986621
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80994550
2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]acetamide
CID 80993837
3-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propanenitrile
CID 80977344
4-N,6-N-diethyl-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80993605
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80985152
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985818
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80961185

Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol (CID 80993309) is 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol is CCNc1nc(C(C)(C)C)nc(N(CCO)C(C)C)c1C.
What is the InChIKey of 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol?
The InChIKey is HXHXVEDPCCRKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-8-17-13-12(4)14(20(9-10-21)11(2)3)19-15(18-13)16(5,6)7/h11,21H,8-10H2,1-7H3,(H,17,18,19).
What are the key properties of 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol?
2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol has a molecular weight of 294.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 80993309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).