3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile

C13H13N5 — CID 62894370

IUPAC3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCc1nccc(CNCc2cccnc2C#N)n1
InChIInChI=1S/C13H13N5/c1-10-16-6-4-12(18-10)9-15-8-11-3-2-5-17-13(11)7-14/h2-6,15H,8-9H2,1H3
InChIKeyBMAHJSUJPFPQKW-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.34
Rot. Bonds4

About 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile

3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 62894370) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
PubChem CID62894370
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCc1nccc(CNCc2cccnc2C#N)n1
InChIInChI=1S/C13H13N5/c1-10-16-6-4-12(18-10)9-15-8-11-3-2-5-17-13(11)7-14/h2-6,15H,8-9H2,1H3
InChIKeyBMAHJSUJPFPQKW-UHFFFAOYSA-N
XLogP1.34
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893857
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62747167
1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 60960956
4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzonitrile
CID 47272282
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
CID 62895390
1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66413703
3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894511
3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893550
3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile
CID 55127965
3-[(3-methylbut-2-enylamino)methyl]pyridine-2-carbonitrile
CID 106188268
1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893614

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile (CID 62894370) is 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile is Cc1nccc(CNCc2cccnc2C#N)n1.
What is the InChIKey of 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is BMAHJSUJPFPQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-10-16-6-4-12(18-10)9-15-8-11-3-2-5-17-13(11)7-14/h2-6,15H,8-9H2,1H3.
What are the key properties of 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile?
3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).