3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile

C11H14N4O2 — CID 121210174

IUPAC3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile
SMILESCn1c(=O)c(C#N)cn(CC2CCNC2)c1=O
InChIInChI=1S/C11H14N4O2/c1-14-10(16)9(4-12)7-15(11(14)17)6-8-2-3-13-5-8/h7-8,13H,2-3,5-6H2,1H3
InChIKeyBFTVDBJQQTYVSB-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.97
Rot. Bonds2

About 3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile

3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile (PubChem CID 121210174) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile
PubChem CID121210174
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile
SMILESCn1c(=O)c(C#N)cn(CC2CCNC2)c1=O
InChIInChI=1S/C11H14N4O2/c1-14-10(16)9(4-12)7-15(11(14)17)6-8-2-3-13-5-8/h7-8,13H,2-3,5-6H2,1H3
InChIKeyBFTVDBJQQTYVSB-UHFFFAOYSA-N
XLogP-0.97
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-oxo-1-(pyrrolidin-3-ylmethyl)pyridine-3-carbonitrile
CID 84682801
2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 84682804
1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595164
5-methyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
CID 63205847
2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile
CID 82147177
1-(pyrrolidin-3-ylmethyl)-1,2,4-triazole-3-carbonitrile
CID 62949372
2-methyl-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 113446755
1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one
CID 80580950
6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
CID 117262554
1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione
CID 115042065
1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione
CID 79942296
2-(pyrrolidin-3-ylmethyl)benzonitrile;hydrochloride
CID 45074463

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile (CID 121210174) is 3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile is Cn1c(=O)c(C#N)cn(CC2CCNC2)c1=O.
What is the InChIKey of 3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile?
The InChIKey is BFTVDBJQQTYVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-14-10(16)9(4-12)7-15(11(14)17)6-8-2-3-13-5-8/h7-8,13H,2-3,5-6H2,1H3.
What are the key properties of 3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile?
3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of -0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dioxo-1-(pyrrolidin-3-ylmethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 121210174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).