2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one

C12H13N3O2 — CID 84694529

IUPAC2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cnc(CN)[nH]c2=O)cc1
InChIInChI=1S/C12H13N3O2/c1-17-9-4-2-8(3-5-9)10-7-14-11(6-13)15-12(10)16/h2-5,7H,6,13H2,1H3,(H,14,15,16)
InChIKeyYYTTWZYESSZWFV-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.90
Rot. Bonds3

About 2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one

2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 84694529) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID84694529
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cnc(CN)[nH]c2=O)cc1
InChIInChI=1S/C12H13N3O2/c1-17-9-4-2-8(3-5-9)10-7-14-11(6-13)15-12(10)16/h2-5,7H,6,13H2,1H3,(H,14,15,16)
InChIKeyYYTTWZYESSZWFV-UHFFFAOYSA-N
XLogP0.90
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one
CID 70497484
5-(aminomethyl)-2-(4-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 136999549
[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
CID 95457106
4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one
CID 101246039
3-(4-methoxyphenyl)-6-pyridin-2-yl-1H-pyridin-2-one
CID 139267080
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
CID 19735441
2,6,11,15-tetrakis(4-methoxyphenyl)-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene
CID 101487109
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
5-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868373

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one (CID 84694529) is 2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one is COc1ccc(-c2cnc(CN)[nH]c2=O)cc1.
What is the InChIKey of 2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is YYTTWZYESSZWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-9-4-2-8(3-5-9)10-7-14-11(6-13)15-12(10)16/h2-5,7H,6,13H2,1H3,(H,14,15,16).
What are the key properties of 2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one?
2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 231.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84694529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).