2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile

C10H11N5O — CID 106256187

IUPAC2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile
SMILESCN1CCC(Nc2nccc(C#N)n2)C1=O
InChIInChI=1S/C10H11N5O/c1-15-5-3-8(9(15)16)14-10-12-4-2-7(6-11)13-10/h2,4,8H,3,5H2,1H3,(H,12,13,14)
InChIKeyJOYBRHYNLOGKBJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP-0.01
Rot. Bonds2

About 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile

2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 106256187) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile
PubChem CID106256187
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile
SMILESCN1CCC(Nc2nccc(C#N)n2)C1=O
InChIInChI=1S/C10H11N5O/c1-15-5-3-8(9(15)16)14-10-12-4-2-7(6-11)13-10/h2,4,8H,3,5H2,1H3,(H,12,13,14)
InChIKeyJOYBRHYNLOGKBJ-UHFFFAOYSA-N
XLogP-0.01
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544747
6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 103680905
3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile
CID 106252122
2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543494
2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543643
2-[(2-aminocyclopentyl)amino]pyrimidine-4-carbonitrile
CID 107552495
2-[(2-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543459
2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 106024746
3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-1-methylpyrrolidin-2-one
CID 137336667
(3S)-1-methyl-3-[[2-[[(3S)-1-methyl-2-oxopyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 97318487
(3R)-1-methyl-3-[[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 97318486
2-(oxan-3-ylamino)pyrimidine-4-carbonitrile
CID 107544503

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile (CID 106256187) is 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile is CN1CCC(Nc2nccc(C#N)n2)C1=O.
What is the InChIKey of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is JOYBRHYNLOGKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-15-5-3-8(9(15)16)14-10-12-4-2-7(6-11)13-10/h2,4,8H,3,5H2,1H3,(H,12,13,14).
What are the key properties of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile?
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 217.23 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 106256187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).