4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol

C12H22N4O — CID 106149754

IUPAC4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCCc1c(N)ncnc1NCC(C)(C)CCO
InChIInChI=1S/C12H22N4O/c1-4-9-10(13)15-8-16-11(9)14-7-12(2,3)5-6-17/h8,17H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyYAMYDXLFTBBCHQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.44
Rot. Bonds6

About 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol

4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 106149754) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID106149754
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCCc1c(N)ncnc1NCC(C)(C)CCO
InChIInChI=1S/C12H22N4O/c1-4-9-10(13)15-8-16-11(9)14-7-12(2,3)5-6-17/h8,17H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyYAMYDXLFTBBCHQ-UHFFFAOYSA-N
XLogP1.44
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366531
4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
CID 114944680
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990
6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855342
5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106149949
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114178343
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198513
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149781
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80850758
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098686
4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149768

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol (CID 106149754) is 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol is CCc1c(N)ncnc1NCC(C)(C)CCO.
What is the InChIKey of 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is YAMYDXLFTBBCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-9-10(13)15-8-16-11(9)14-7-12(2,3)5-6-17/h8,17H,4-7H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106149754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).