methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate

C10H12N4O3 — CID 168695356

IUPACmethyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ncncc2N)C1
InChIInChI=1S/C10H12N4O3/c1-17-10(16)6-2-8(15)14(4-6)9-7(11)3-12-5-13-9/h3,5-6H,2,4,11H2,1H3
InChIKeyDDJOYSQOEAZMJY-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.42
Rot. Bonds2

About methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168695356) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168695356
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Namemethyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ncncc2N)C1
InChIInChI=1S/C10H12N4O3/c1-17-10(16)6-2-8(15)14(4-6)9-7(11)3-12-5-13-9/h3,5-6H,2,4,11H2,1H3
InChIKeyDDJOYSQOEAZMJY-UHFFFAOYSA-N
XLogP-0.42
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692302
methyl 1-(5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695056
methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694945
methyl 5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylate
CID 168695495
methyl 1-(6-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694752
methyl 1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694987
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698124
methyl 1-(6-bromoquinazolin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695059
methyl 1-(4,6-diaminopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695409
methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693768

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate (CID 168695356) is methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2ncncc2N)C1.
What is the InChIKey of methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is DDJOYSQOEAZMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-17-10(16)6-2-8(15)14(4-6)9-7(11)3-12-5-13-9/h3,5-6H,2,4,11H2,1H3.
What are the key properties of methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 236.23 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168695356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).