2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile

C11H11N5O2 — CID 107544747

IUPAC2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
SMILESCN1C(=O)CCC(Nc2nccc(C#N)n2)C1=O
InChIInChI=1S/C11H11N5O2/c1-16-9(17)3-2-8(10(16)18)15-11-13-5-4-7(6-12)14-11/h4-5,8H,2-3H2,1H3,(H,13,14,15)
InChIKeyPEOURZWCVLGBPZ-UHFFFAOYSA-N
MW245.24 g/mol
LogP-0.09
Rot. Bonds2

About 2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile

2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 107544747) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
PubChem CID107544747
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
SMILESCN1C(=O)CCC(Nc2nccc(C#N)n2)C1=O
InChIInChI=1S/C11H11N5O2/c1-16-9(17)3-2-8(10(16)18)15-11-13-5-4-7(6-12)14-11/h4-5,8H,2-3H2,1H3,(H,13,14,15)
InChIKeyPEOURZWCVLGBPZ-UHFFFAOYSA-N
XLogP-0.09
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-N-methyl-N-(4-pyrimidinylmethyl)succinamide
CID 28363197
3-Ethyl-4-(4-methylpyrimidin-2-yl)piperazin-2-one
CID 75379310
2-(Methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110269942
1-(4-Methylpyrimidin-2-YL)-N-(prop-2-EN-1-YL)piperidine-4-carboxamide
CID 3223198
1-(4-Methylpyrimidin-2-YL)-N-(prop-2-EN-1-YL)piperidine-3-carboxamide
CID 3223400
1-(4-methylpyrimidin-2-yl)-N-propylpiperidine-3-carboxamide
CID 53035320
N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102122
N-Butyl-1-(4-methyl-2-pyrimidinyl)-4-piperidinecarboxamide
CID 53102161
3-[4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one
CID 71846422
(3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one
CID 94219227
(2S)-N-methyl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-2-carboxamide
CID 99930962
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
CID 11682372

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile (CID 107544747) is 2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile is CN1C(=O)CCC(Nc2nccc(C#N)n2)C1=O.
What is the InChIKey of 2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is PEOURZWCVLGBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-16-9(17)3-2-8(10(16)18)15-11-13-5-4-7(6-12)14-11/h4-5,8H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile?
2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 245.24 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).