methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate

C10H15N3O3 — CID 592141

IUPACmethyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate
SMILESCOC(=O)C(Nc1ccnc(=O)[nH]1)C(C)C
InChIInChI=1S/C10H15N3O3/c1-6(2)8(9(14)16-3)12-7-4-5-11-10(15)13-7/h4-6,8H,1-3H3,(H2,11,12,13,15)
InChIKeyIYDRFSLPNMGMKA-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.38
Rot. Bonds4

About methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate

methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate (PubChem CID 592141) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate
PubChem CID592141
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate
SMILESCOC(=O)C(Nc1ccnc(=O)[nH]1)C(C)C
InChIInChI=1S/C10H15N3O3/c1-6(2)8(9(14)16-3)12-7-4-5-11-10(15)13-7/h4-6,8H,1-3H3,(H2,11,12,13,15)
InChIKeyIYDRFSLPNMGMKA-UHFFFAOYSA-N
XLogP0.38
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypyrimid-4-yl)valine
CID 13988999
Methyl 2-[(1H-2-oxo-4-pyrimidinyl)amino]-propanoate
CID 586658
4-[(1-Carboxy-2-methylpropyl)amino]-2(1H)-pyrimidinone
CID 591988
N-(1H-2-Oxo-pyrimidin-4-yl)-3-methyl-2-aminopentanoic acid
CID 591989
4-[(1-Carboxy-3-methylbutyl)amino]-2(1H)-pyrimidinone
CID 596394
Methyl 3-methyl-2-[(1H-2-oxo-4-pyrimidinyl)amino]-isopantanoate
CID 601942
Methyl 2-[(1H-2-oxo-4-pyrimidinyl)amino]-isohexanoate
CID 602074
Amino 2-[(3-methyl-2-oxopyrimidin-4-yl)amino]butanoate
CID 141738056
amino 2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate
CID 141738059
2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoic acid
CID 133664746

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate (CID 592141) is methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate is COC(=O)C(Nc1ccnc(=O)[nH]1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate?
The InChIKey is IYDRFSLPNMGMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)8(9(14)16-3)12-7-4-5-11-10(15)13-7/h4-6,8H,1-3H3,(H2,11,12,13,15).
What are the key properties of methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate?
methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate has a molecular weight of 225.25 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]butanoate is sourced from PubChem (CID 592141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).