methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate

C9H13N3O3 — CID 135659068

IUPACmethyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
SMILESCOC(=O)[C@H](C)c1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-4(8(14)15-3)6-5(2)11-9(10)12-7(6)13/h4H,1-3H3,(H3,10,11,12,13)/t4-/m1/s1
InChIKeyURFZMCQRSMMQHC-SCSAIBSYSA-N
MW211.22 g/mol
LogP-0.06
Rot. Bonds2

About methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate

methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate (PubChem CID 135659068) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
PubChem CID135659068
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
SMILESCOC(=O)[C@H](C)c1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-4(8(14)15-3)6-5(2)11-9(10)12-7(6)13/h4H,1-3H3,(H3,10,11,12,13)/t4-/m1/s1
InChIKeyURFZMCQRSMMQHC-SCSAIBSYSA-N
XLogP-0.06
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate?
The IUPAC name of methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate (CID 135659068) is methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate?
The canonical SMILES for methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate is COC(=O)[C@H](C)c1c(C)nc(N)[nH]c1=O.
What is the InChIKey of methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate?
The InChIKey is URFZMCQRSMMQHC-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4(8(14)15-3)6-5(2)11-9(10)12-7(6)13/h4H,1-3H3,(H3,10,11,12,13)/t4-/m1/s1.
What are the key properties of methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate?
methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate has a molecular weight of 211.22 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate is sourced from PubChem (CID 135659068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).