3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

C12H18ClN3O — CID 114630405

IUPAC3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCCc1c(Cl)ncnc1NC1CC(O)C1(C)C
InChIInChI=1S/C12H18ClN3O/c1-4-7-10(13)14-6-15-11(7)16-8-5-9(17)12(8,2)3/h6,8-9,17H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyCKWHECFLGLJQBV-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.26
Rot. Bonds3

About 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114630405) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114630405
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCCc1c(Cl)ncnc1NC1CC(O)C1(C)C
InChIInChI=1S/C12H18ClN3O/c1-4-7-10(13)14-6-15-11(7)16-8-5-9(17)12(8,2)3/h6,8-9,17H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyCKWHECFLGLJQBV-UHFFFAOYSA-N
XLogP2.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol with MolForge

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Related Compounds

2,2-dimethyl-3-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632953
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine
CID 64732155
[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364141
6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 63729756
2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632856
3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114632957
6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79350090
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632994
1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65121660
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630356
6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 103064329

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114630405) is 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol is CCc1c(Cl)ncnc1NC1CC(O)C1(C)C.
What is the InChIKey of 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is CKWHECFLGLJQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-7-10(13)14-6-15-11(7)16-8-5-9(17)12(8,2)3/h6,8-9,17H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 255.75 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114630405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).