2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid

C10H15N5O3 — CID 136958450

IUPAC2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESNc1c(N2CCN(CC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C10H15N5O3/c11-8-9(12-6-13-10(8)18)15-3-1-14(2-4-15)5-7(16)17/h6H,1-5,11H2,(H,16,17)(H,12,13,18)
InChIKeyVXJVLJOUXAOLJU-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.44
Rot. Bonds3

About 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid

2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid (PubChem CID 136958450) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
PubChem CID136958450
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESNc1c(N2CCN(CC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C10H15N5O3/c11-8-9(12-6-13-10(8)18)15-3-1-14(2-4-15)5-7(16)17/h6H,1-5,11H2,(H,16,17)(H,12,13,18)
InChIKeyVXJVLJOUXAOLJU-UHFFFAOYSA-N
XLogP-1.44
TPSA115.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959228
2-(6-oxo-7,8-dihydro-1H-purin-9-yl)acetic acid
CID 136441219
2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid
CID 136612221
4-hydroxy-5-piperazin-1-yl-1H-pyrimidin-6-one
CID 115020586
5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135568290
5-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135786493
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734034
2-[4-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperazin-1-yl]acetic acid
CID 136740707
2-[[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 136745655
5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958154
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958333
2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
CID 136958419

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid (CID 136958450) is 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid is Nc1c(N2CCN(CC(=O)O)CC2)nc[nH]c1=O.
What is the InChIKey of 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
The InChIKey is VXJVLJOUXAOLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c11-8-9(12-6-13-10(8)18)15-3-1-14(2-4-15)5-7(16)17/h6H,1-5,11H2,(H,16,17)(H,12,13,18).
What are the key properties of 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 136958450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).