2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile

C13H19N5 — CID 107543760

IUPAC2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCCN1CCC(CNc2nc(C)cc(C#N)n2)C1
InChIInChI=1S/C13H19N5/c1-3-18-5-4-11(9-18)8-15-13-16-10(2)6-12(7-14)17-13/h6,11H,3-5,8-9H2,1-2H3,(H,15,16,17)
InChIKeyGHEYWXFURSWDSF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.41
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile

2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107543760) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107543760
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCCN1CCC(CNc2nc(C)cc(C#N)n2)C1
InChIInChI=1S/C13H19N5/c1-3-18-5-4-11(9-18)8-15-13-16-10(2)6-12(7-14)17-13/h6,11H,3-5,8-9H2,1-2H3,(H,15,16,17)
InChIKeyGHEYWXFURSWDSF-UHFFFAOYSA-N
XLogP1.41
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile
CID 136539750
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 54939293
4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 60856650
4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060937
4-[(1-ethylpyrrolidin-3-yl)methylamino]-2-methylbenzonitrile
CID 81273896
2-[(1-ethylpyrrolidin-3-yl)methylamino]-5-methylbenzonitrile
CID 114016803
6-[(1-ethylpiperidin-3-yl)methylamino]pyridine-2-carbonitrile
CID 133392311
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile
CID 122150193
6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107551946
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80899426
3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
CID 80510426
2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545210

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile (CID 107543760) is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile is CCN1CCC(CNc2nc(C)cc(C#N)n2)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is GHEYWXFURSWDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-18-5-4-11(9-18)8-15-13-16-10(2)6-12(7-14)17-13/h6,11H,3-5,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile?
2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107543760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).