1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one

C13H15N3O2 — CID 65338865

IUPAC1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one
SMILESCOc1ccc(Cn2cccnc2=O)cc1CN
InChIInChI=1S/C13H15N3O2/c1-18-12-4-3-10(7-11(12)8-14)9-16-6-2-5-15-13(16)17/h2-7H,8-9,14H2,1H3
InChIKeyLNGCPCJYLQEUSW-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.76
Rot. Bonds4

About 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one

1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one (PubChem CID 65338865) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one
PubChem CID65338865
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one
SMILESCOc1ccc(Cn2cccnc2=O)cc1CN
InChIInChI=1S/C13H15N3O2/c1-18-12-4-3-10(7-11(12)8-14)9-16-6-2-5-15-13(16)17/h2-7H,8-9,14H2,1H3
InChIKeyLNGCPCJYLQEUSW-UHFFFAOYSA-N
XLogP0.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one
CID 113226508
2-methoxy-4-[(2-oxopyrimidin-1-yl)methyl]benzoic acid
CID 106793753
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one
CID 80581760
[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
CID 65338671
[2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 106785903
1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one
CID 43111801
4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one
CID 79469483
1-[4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperazin-1-yl]ethanone
CID 65340739
[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine
CID 81332900
1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one
CID 115590410
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one?
The IUPAC name of 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one (CID 65338865) is 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one?
The canonical SMILES for 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one is COc1ccc(Cn2cccnc2=O)cc1CN.
What is the InChIKey of 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one?
The InChIKey is LNGCPCJYLQEUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-12-4-3-10(7-11(12)8-14)9-16-6-2-5-15-13(16)17/h2-7H,8-9,14H2,1H3.
What are the key properties of 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one?
1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one has a molecular weight of 245.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrimidin-2-one is sourced from PubChem (CID 65338865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).