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

C13H24N4O — CID 114178343

IUPAC3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCc1c(N)ncnc1NC(CCO)C(C)(C)C
InChIInChI=1S/C13H24N4O/c1-5-9-11(14)15-8-16-12(9)17-10(6-7-18)13(2,3)4/h8,10,18H,5-7H2,1-4H3,(H3,14,15,16,17)
InChIKeyOPROXUJHNRZUCB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.83
Rot. Bonds5

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

3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 114178343) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID114178343
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCc1c(N)ncnc1NC(CCO)C(C)(C)C
InChIInChI=1S/C13H24N4O/c1-5-9-11(14)15-8-16-12(9)17-10(6-7-18)13(2,3)4/h8,10,18H,5-7H2,1-4H3,(H3,14,15,16,17)
InChIKeyOPROXUJHNRZUCB-UHFFFAOYSA-N
XLogP1.83
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358031
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114152252
3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352639
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358458
3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348369
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348403
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149754
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366531
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80850758
6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855342

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (CID 114178343) is 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is CCc1c(N)ncnc1NC(CCO)C(C)(C)C.
What is the InChIKey of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is OPROXUJHNRZUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-9-11(14)15-8-16-12(9)17-10(6-7-18)13(2,3)4/h8,10,18H,5-7H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114178343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).