2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol

C9H16N4O — CID 80955755

IUPAC2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
SMILESCC(C)c1nc(N)cc(NCCO)n1
InChIInChI=1S/C9H16N4O/c1-6(2)9-12-7(10)5-8(13-9)11-3-4-14/h5-6,14H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyNUSADLBOIQOSST-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.59
Rot. Bonds4

About 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol

2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol (PubChem CID 80955755) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
PubChem CID80955755
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
SMILESCC(C)c1nc(N)cc(NCCO)n1
InChIInChI=1S/C9H16N4O/c1-6(2)9-12-7(10)5-8(13-9)11-3-4-14/h5-6,14H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyNUSADLBOIQOSST-UHFFFAOYSA-N
XLogP0.59
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80966926
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol
CID 113498157
4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960186
4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957424
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343565
N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332318
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 113484576
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280606
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957195
4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960564
4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967447

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol (CID 80955755) is 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol is CC(C)c1nc(N)cc(NCCO)n1.
What is the InChIKey of 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The InChIKey is NUSADLBOIQOSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)9-12-7(10)5-8(13-9)11-3-4-14/h5-6,14H,3-4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol?
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol has a molecular weight of 196.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 80955755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).