2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol

C15H23N3O2 — CID 146081735

IUPAC2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol
SMILESCc1cc(NCC(O)C2CCCO2)nc(C2CCC2)n1
InChIInChI=1S/C15H23N3O2/c1-10-8-14(18-15(17-10)11-4-2-5-11)16-9-12(19)13-6-3-7-20-13/h8,11-13,19H,2-7,9H2,1H3,(H,16,17,18)
InChIKeySYIQBTSZBKKISY-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.00
Rot. Bonds5

About 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol

2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol (PubChem CID 146081735) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol
PubChem CID146081735
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol
SMILESCc1cc(NCC(O)C2CCCO2)nc(C2CCC2)n1
InChIInChI=1S/C15H23N3O2/c1-10-8-14(18-15(17-10)11-4-2-5-11)16-9-12(19)13-6-3-7-20-13/h8,11-13,19H,2-7,9H2,1H3,(H,16,17,18)
InChIKeySYIQBTSZBKKISY-UHFFFAOYSA-N
XLogP2.00
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol
CID 154866099
2-cyclobutyl-4,6-dimethylpyrimidine
CID 122534003
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 142398679
1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 156747479
6-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-4-ylpyrimidin-4-amine
CID 110257564
1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967408
2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 65413615
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395188
3-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060969
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol?
The IUPAC name of 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol (CID 146081735) is 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol.
What is the SMILES notation for 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol?
The canonical SMILES for 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol is Cc1cc(NCC(O)C2CCCO2)nc(C2CCC2)n1.
What is the InChIKey of 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol?
The InChIKey is SYIQBTSZBKKISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-8-14(18-15(17-10)11-4-2-5-11)16-9-12(19)13-6-3-7-20-13/h8,11-13,19H,2-7,9H2,1H3,(H,16,17,18).
What are the key properties of 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol?
2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol has a molecular weight of 277.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutyl-6-methylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol is sourced from PubChem (CID 146081735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).