N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide

C11H16N4O2 — CID 136876815

IUPACN,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H16N4O2/c1-11(10(17)12-2)3-4-15(6-11)8-5-9(16)14-7-13-8/h5,7H,3-4,6H2,1-2H3,(H,12,17)(H,13,14,16)
InChIKeyJQYXHHRUAAUZJP-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.27
Rot. Bonds2

About N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide

N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 136876815) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID136876815
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H16N4O2/c1-11(10(17)12-2)3-4-15(6-11)8-5-9(16)14-7-13-8/h5,7H,3-4,6H2,1-2H3,(H,12,17)(H,13,14,16)
InChIKeyJQYXHHRUAAUZJP-UHFFFAOYSA-N
XLogP-0.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N,N-dimethyl-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 137915956
4-(3,3-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136462243
4-amino-2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 173826212
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136689236
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794218
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794219
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794220
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136794221
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136794227
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794229
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794233
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794234

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 136876815) is N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is JQYXHHRUAAUZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(10(17)12-2)3-4-15(6-11)8-5-9(16)14-7-13-8/h5,7H,3-4,6H2,1-2H3,(H,12,17)(H,13,14,16).
What are the key properties of N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136876815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).