2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile

C13H19N5 — CID 107544433

IUPAC2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile
SMILESCC(CNc1nccc(C#N)n1)CN1CCCC1
InChIInChI=1S/C13H19N5/c1-11(10-18-6-2-3-7-18)9-16-13-15-5-4-12(8-14)17-13/h4-5,11H,2-3,6-7,9-10H2,1H3,(H,15,16,17)
InChIKeyCVJCLDFBHVCFFM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.49
Rot. Bonds5

About 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile

2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107544433) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile
PubChem CID107544433
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile
SMILESCC(CNc1nccc(C#N)n1)CN1CCCC1
InChIInChI=1S/C13H19N5/c1-11(10-18-6-2-3-7-18)9-16-13-15-5-4-12(8-14)17-13/h4-5,11H,2-3,6-7,9-10H2,1H3,(H,15,16,17)
InChIKeyCVJCLDFBHVCFFM-UHFFFAOYSA-N
XLogP1.49
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 62994209
2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
CID 107552672
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 112637597
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid
CID 107553892
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine
CID 115975017
2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile
CID 107545115
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 133297711
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-nitropyridine-4-carbonitrile
CID 80711380
2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 107544542
2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile
CID 114766247
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyrimidine-4-carbonitrile
CID 107552093

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile (CID 107544433) is 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile is CC(CNc1nccc(C#N)n1)CN1CCCC1.
What is the InChIKey of 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is CVJCLDFBHVCFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-11(10-18-6-2-3-7-18)9-16-13-15-5-4-12(8-14)17-13/h4-5,11H,2-3,6-7,9-10H2,1H3,(H,15,16,17).
What are the key properties of 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile?
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).