3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol

C11H18N4O — CID 80958339

IUPAC3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol
SMILESCC(C)c1nc(N)cc(NC2CC(O)C2)n1
InChIInChI=1S/C11H18N4O/c1-6(2)11-14-9(12)5-10(15-11)13-7-3-8(16)4-7/h5-8,16H,3-4H2,1-2H3,(H3,12,13,14,15)
InChIKeyDGIOLOXSGIBIJL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.12
Rot. Bonds3

About 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol

3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol (PubChem CID 80958339) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol
PubChem CID80958339
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol
SMILESCC(C)c1nc(N)cc(NC2CC(O)C2)n1
InChIInChI=1S/C11H18N4O/c1-6(2)11-14-9(12)5-10(15-11)13-7-3-8(16)4-7/h5-8,16H,3-4H2,1-2H3,(H3,12,13,14,15)
InChIKeyDGIOLOXSGIBIJL-UHFFFAOYSA-N
XLogP1.12
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956154
4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959178
3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 80856633
2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065324
4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961252
4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 83040002
4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 43395250
4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959948
6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine
CID 115697112
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
4-N-(2,2-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960088
4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955801

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol (CID 80958339) is 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol is CC(C)c1nc(N)cc(NC2CC(O)C2)n1.
What is the InChIKey of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol?
The InChIKey is DGIOLOXSGIBIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-6(2)11-14-9(12)5-10(15-11)13-7-3-8(16)4-7/h5-8,16H,3-4H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol?
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 80958339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).