4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid

C10H15N5O3 — CID 135489787

IUPAC4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid
SMILESCc1nc(N)c(N2CCN(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H15N5O3/c1-6-12-8(11)7(9(16)13-6)14-2-4-15(5-3-14)10(17)18/h2-5H2,1H3,(H,17,18)(H3,11,12,13,16)
InChIKeyYEEIDWNFDVZFQY-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.54
Rot. Bonds1

About 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid

4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid (PubChem CID 135489787) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid
PubChem CID135489787
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid
SMILESCc1nc(N)c(N2CCN(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H15N5O3/c1-6-12-8(11)7(9(16)13-6)14-2-4-15(5-3-14)10(17)18/h2-5H2,1H3,(H,17,18)(H3,11,12,13,16)
InChIKeyYEEIDWNFDVZFQY-UHFFFAOYSA-N
XLogP-0.54
TPSA115.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid (CID 135489787) is 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid is Cc1nc(N)c(N2CCN(C(=O)O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid?
The InChIKey is YEEIDWNFDVZFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-6-12-8(11)7(9(16)13-6)14-2-4-15(5-3-14)10(17)18/h2-5H2,1H3,(H,17,18)(H3,11,12,13,16).
What are the key properties of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid?
4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 135489787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).