methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate

C12H19N3O4 — CID 136989663

IUPACmethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate
SMILESCCCC(C)(Nc1nc[nH]c(=O)c1OC)C(=O)OC
InChIInChI=1S/C12H19N3O4/c1-5-6-12(2,11(17)19-4)15-9-8(18-3)10(16)14-7-13-9/h7H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyDZHVVJSYSCTMPO-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.92
Rot. Bonds6

About methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate

methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate (PubChem CID 136989663) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate
PubChem CID136989663
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate
SMILESCCCC(C)(Nc1nc[nH]c(=O)c1OC)C(=O)OC
InChIInChI=1S/C12H19N3O4/c1-5-6-12(2,11(17)19-4)15-9-8(18-3)10(16)14-7-13-9/h7H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyDZHVVJSYSCTMPO-UHFFFAOYSA-N
XLogP0.92
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate with MolForge

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Related Compounds

2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958469
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958474
1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958614
methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136958668
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958726
2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958790
1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid
CID 136959117
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 136959287
2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959299
2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4-methylpentanoic acid
CID 136959319
1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 136959383
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136972321

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate (CID 136989663) is methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate is CCCC(C)(Nc1nc[nH]c(=O)c1OC)C(=O)OC.
What is the InChIKey of methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate?
The InChIKey is DZHVVJSYSCTMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-5-6-12(2,11(17)19-4)15-9-8(18-3)10(16)14-7-13-9/h7H,5-6H2,1-4H3,(H2,13,14,15,16).
What are the key properties of methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate?
methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate has a molecular weight of 269.30 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate is sourced from PubChem (CID 136989663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).