2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid

C12H18N4O3 — CID 136740719

IUPAC2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid
SMILESCc1nc(CN2CCN(CC(=O)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O3/c1-9-13-10(6-11(17)14-9)7-15-2-4-16(5-3-15)8-12(18)19/h6H,2-5,7-8H2,1H3,(H,18,19)(H,13,14,17)
InChIKeyGYWUSOZUWUDDLZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.72
Rot. Bonds4

About 2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid

2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid (PubChem CID 136740719) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid
PubChem CID136740719
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid
SMILESCc1nc(CN2CCN(CC(=O)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O3/c1-9-13-10(6-11(17)14-9)7-15-2-4-16(5-3-15)8-12(18)19/h6H,2-5,7-8H2,1H3,(H,18,19)(H,13,14,17)
InChIKeyGYWUSOZUWUDDLZ-UHFFFAOYSA-N
XLogP-0.72
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid (CID 136740719) is 2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid is Cc1nc(CN2CCN(CC(=O)O)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid?
The InChIKey is GYWUSOZUWUDDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9-13-10(6-11(17)14-9)7-15-2-4-16(5-3-15)8-12(18)19/h6H,2-5,7-8H2,1H3,(H,18,19)(H,13,14,17).
What are the key properties of 2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid?
2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of -0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 136740719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).