3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide

C10H14N4O2 — CID 136794238

IUPAC3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H14N4O2/c1-10(9(11)16)2-3-14(5-10)7-4-8(15)13-6-12-7/h4,6H,2-3,5H2,1H3,(H2,11,16)(H,12,13,15)
InChIKeyNXXFHPHYYAZNED-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.53
Rot. Bonds2

About 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide

3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 136794238) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID136794238
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H14N4O2/c1-10(9(11)16)2-3-14(5-10)7-4-8(15)13-6-12-7/h4,6H,2-3,5H2,1H3,(H2,11,16)(H,12,13,15)
InChIKeyNXXFHPHYYAZNED-UHFFFAOYSA-N
XLogP-0.53
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Aminoisocytosine-N-methylpyrrolidin-2-one (1/1)
CID 139062115
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
4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679999
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]-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 136794238) is 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is NXXFHPHYYAZNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-10(9(11)16)2-3-14(5-10)7-4-8(15)13-6-12-7/h4,6H,2-3,5H2,1H3,(H2,11,16)(H,12,13,15).
What are the key properties of 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136794238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).