3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C18H23N3O2 — CID 91774761

IUPAC3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCCOc1cccc(CN(C)c2cc(C3CC(O)C3)ncn2)c1
InChIInChI=1S/C18H23N3O2/c1-3-23-16-6-4-5-13(7-16)11-21(2)18-10-17(19-12-20-18)14-8-15(22)9-14/h4-7,10,12,14-15,22H,3,8-9,11H2,1-2H3
InChIKeyHBRGKUHZHQMIBN-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.75
Rot. Bonds6

About 3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91774761) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91774761
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCCOc1cccc(CN(C)c2cc(C3CC(O)C3)ncn2)c1
InChIInChI=1S/C18H23N3O2/c1-3-23-16-6-4-5-13(7-16)11-21(2)18-10-17(19-12-20-18)14-8-15(22)9-14/h4-7,10,12,14-15,22H,3,8-9,11H2,1-2H3
InChIKeyHBRGKUHZHQMIBN-UHFFFAOYSA-N
XLogP2.75
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91775340
3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91785441
3-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91783030
3-[6-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91778387
6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154903423
N-butyl-2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-methylamino]acetamide
CID 91792104
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126448627
6-(3-aminocyclobutyl)-N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154903096
2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
CID 71497144
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91774761) is 3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol is CCOc1cccc(CN(C)c2cc(C3CC(O)C3)ncn2)c1.
What is the InChIKey of 3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is HBRGKUHZHQMIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-23-16-6-4-5-13(7-16)11-21(2)18-10-17(19-12-20-18)14-8-15(22)9-14/h4-7,10,12,14-15,22H,3,8-9,11H2,1-2H3.
What are the key properties of 3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 313.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3-ethoxyphenyl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91774761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).