4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine

C17H21N3O2 — CID 133491901

IUPAC4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCC2(c3ccccc3OC)CCC2)n1
InChIInChI=1S/C17H21N3O2/c1-21-14-7-4-3-6-13(14)17(9-5-10-17)12-19-16-18-11-8-15(20-16)22-2/h3-4,6-8,11H,5,9-10,12H2,1-2H3,(H,18,19,20)
InChIKeyWAWWFSRAHVSMBL-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.03
Rot. Bonds6

About 4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine

4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine (PubChem CID 133491901) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine
PubChem CID133491901
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCC2(c3ccccc3OC)CCC2)n1
InChIInChI=1S/C17H21N3O2/c1-21-14-7-4-3-6-13(14)17(9-5-10-17)12-19-16-18-11-8-15(20-16)22-2/h3-4,6-8,11H,5,9-10,12H2,1-2H3,(H,18,19,20)
InChIKeyWAWWFSRAHVSMBL-UHFFFAOYSA-N
XLogP3.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile
CID 133491875
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091858
N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine
CID 114125798
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine
CID 115457088
2-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133491828
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 110432373
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133491918
2-methoxy-N-[[1-(2-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596424
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133491841
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine (CID 133491901) is 4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine is COc1ccnc(NCC2(c3ccccc3OC)CCC2)n1.
What is the InChIKey of 4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine?
The InChIKey is WAWWFSRAHVSMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-21-14-7-4-3-6-13(14)17(9-5-10-17)12-19-16-18-11-8-15(20-16)22-2/h3-4,6-8,11H,5,9-10,12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine?
4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine has a molecular weight of 299.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 133491901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).