methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate

C11H16N4O3 — CID 137007679

IUPACmethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(c2nc[nH]c(=O)c2N)CC1C
InChIInChI=1S/C11H16N4O3/c1-6-3-15(4-7(6)11(17)18-2)9-8(12)10(16)14-5-13-9/h5-7H,3-4,12H2,1-2H3,(H,13,14,16)
InChIKeyPHDAKKWCSNMHDG-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.40
Rot. Bonds2

About methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate

methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate (PubChem CID 137007679) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate
PubChem CID137007679
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(c2nc[nH]c(=O)c2N)CC1C
InChIInChI=1S/C11H16N4O3/c1-6-3-15(4-7(6)11(17)18-2)9-8(12)10(16)14-5-13-9/h5-7H,3-4,12H2,1-2H3,(H,13,14,16)
InChIKeyPHDAKKWCSNMHDG-UHFFFAOYSA-N
XLogP-0.40
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]-4-methylpyrrolidine-3-carboxylate
CID 109633571
methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 135575725
(3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136689836
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958827
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 136958877
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 136958882
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136958915
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 136959257
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 136959739
methyl 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate
CID 136989695
methyl 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate
CID 136989696
methyl 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoate
CID 137007609

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate (CID 137007679) is methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate is COC(=O)C1CN(c2nc[nH]c(=O)c2N)CC1C.
What is the InChIKey of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate?
The InChIKey is PHDAKKWCSNMHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-6-3-15(4-7(6)11(17)18-2)9-8(12)10(16)14-5-13-9/h5-7H,3-4,12H2,1-2H3,(H,13,14,16).
What are the key properties of methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate?
methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 137007679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).