5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one

C19H25N5O2 — CID 137091980

IUPAC5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC(C)CC1CN
InChIInChI=1S/C19H25N5O2/c1-12-5-8-24(15(9-12)11-20)17(25)10-16-13(2)22-18(23-19(16)26)14-3-6-21-7-4-14/h3-4,6-7,12,15H,5,8-11,20H2,1-2H3,(H,22,23,26)
InChIKeyXQWOUFBDCYBFFV-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.27
Rot. Bonds4

About 5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one

5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 137091980) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID137091980
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC(C)CC1CN
InChIInChI=1S/C19H25N5O2/c1-12-5-8-24(15(9-12)11-20)17(25)10-16-13(2)22-18(23-19(16)26)14-3-6-21-7-4-14/h3-4,6-7,12,15H,5,8-11,20H2,1-2H3,(H,22,23,26)
InChIKeyXQWOUFBDCYBFFV-UHFFFAOYSA-N
XLogP1.27
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 137091980) is 5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one is Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC(C)CC1CN.
What is the InChIKey of 5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is XQWOUFBDCYBFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-5-8-24(15(9-12)11-20)17(25)10-16-13(2)22-18(23-19(16)26)14-3-6-21-7-4-14/h3-4,6-7,12,15H,5,8-11,20H2,1-2H3,(H,22,23,26).
What are the key properties of 5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 355.44 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137091980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).