2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile

C11H15N5 — CID 106024746

IUPAC2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
SMILESCN1CCCC1CNc1nccc(C#N)n1
InChIInChI=1S/C11H15N5/c1-16-6-2-3-10(16)8-14-11-13-5-4-9(7-12)15-11/h4-5,10H,2-3,6,8H2,1H3,(H,13,14,15)
InChIKeyDRKQCVKWMOHQOH-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.85
Rot. Bonds3

About 2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile

2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile (PubChem CID 106024746) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
PubChem CID106024746
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
SMILESCN1CCCC1CNc1nccc(C#N)n1
InChIInChI=1S/C11H15N5/c1-16-6-2-3-10(16)8-14-11-13-5-4-9(7-12)15-11/h4-5,10H,2-3,6,8H2,1H3,(H,13,14,15)
InChIKeyDRKQCVKWMOHQOH-UHFFFAOYSA-N
XLogP0.85
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 106028625
N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 114138482
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 142876099
2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile
CID 107552437
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 106022717
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 103724805
2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
CID 107544497
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile
CID 107544433
2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 107544542
2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106028932

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile (CID 106024746) is 2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile is CN1CCCC1CNc1nccc(C#N)n1.
What is the InChIKey of 2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile?
The InChIKey is DRKQCVKWMOHQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-16-6-2-3-10(16)8-14-11-13-5-4-9(7-12)15-11/h4-5,10H,2-3,6,8H2,1H3,(H,13,14,15).
What are the key properties of 2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile?
2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 106024746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).