4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol

C16H30N4O — CID 106149856

IUPAC4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
SMILESCCNc1cc(NCC(C)(C)CCO)nc(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-7-17-12-10-13(18-11-16(5,6)8-9-21)20-14(19-12)15(2,3)4/h10,21H,7-9,11H2,1-6H3,(H2,17,18,19,20)
InChIKeyJRZYXXYKZVKMMI-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.03
Rot. Bonds7

About 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol

4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 106149856) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
PubChem CID106149856
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
SMILESCCNc1cc(NCC(C)(C)CCO)nc(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-7-17-12-10-13(18-11-16(5,6)8-9-21)20-14(19-12)15(2,3)4/h10,21H,7-9,11H2,1-6H3,(H2,17,18,19,20)
InChIKeyJRZYXXYKZVKMMI-UHFFFAOYSA-N
XLogP3.03
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol with MolForge

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Related Compounds

4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149850
4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106150254
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366433
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149277
5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol
CID 103895908
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80958459
4-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149886
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
3-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964135
2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80958191

Frequently Asked Questions

What is the IUPAC name of 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol (CID 106149856) is 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol is CCNc1cc(NCC(C)(C)CCO)nc(C(C)(C)C)n1.
What is the InChIKey of 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is JRZYXXYKZVKMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-17-12-10-13(18-11-16(5,6)8-9-21)20-14(19-12)15(2,3)4/h10,21H,7-9,11H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106149856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).