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

C14H23N3O — CID 102868924

IUPAC2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol
SMILESCc1cc(C(C)C)nc(N(CCO)C2CCC2)n1
InChIInChI=1S/C14H23N3O/c1-10(2)13-9-11(3)15-14(16-13)17(7-8-18)12-5-4-6-12/h9-10,12,18H,4-8H2,1-3H3
InChIKeyGKVIHZQUCJSTRV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.26
Rot. Bonds5

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

2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol (PubChem CID 102868924) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol
PubChem CID102868924
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol
SMILESCc1cc(C(C)C)nc(N(CCO)C2CCC2)n1
InChIInChI=1S/C14H23N3O/c1-10(2)13-9-11(3)15-14(16-13)17(7-8-18)12-5-4-6-12/h9-10,12,18H,4-8H2,1-3H3
InChIKeyGKVIHZQUCJSTRV-UHFFFAOYSA-N
XLogP2.26
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 61147636
N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine
CID 55183880
N'-cyclobutyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 102874839
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550614
2-[cyclobutyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 102869205
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80961504
2-N-methyl-2-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)cyclohexane-1,2-diamine
CID 102639492
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]propanimidamide
CID 54997310
2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
CID 83184371
4-(aminomethyl)-N-cyclopentyl-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 107542143

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol (CID 102868924) is 2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol is Cc1cc(C(C)C)nc(N(CCO)C2CCC2)n1.
What is the InChIKey of 2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol?
The InChIKey is GKVIHZQUCJSTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)13-9-11(3)15-14(16-13)17(7-8-18)12-5-4-6-12/h9-10,12,18H,4-8H2,1-3H3.
What are the key properties of 2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol?
2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol has a molecular weight of 249.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 102868924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).