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

C13H19N5 — CID 115143377

IUPAC2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(N(C)CC2CCN(C)C2)n1
InChIInChI=1S/C13H19N5/c1-10-15-12(7-14)6-13(16-10)18(3)9-11-4-5-17(2)8-11/h6,11H,4-5,8-9H2,1-3H3
InChIKeyJFYUVMOIAOMNCW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.04
Rot. Bonds3

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

2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile (PubChem CID 115143377) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile
PubChem CID115143377
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(N(C)CC2CCN(C)C2)n1
InChIInChI=1S/C13H19N5/c1-10-15-12(7-14)6-13(16-10)18(3)9-11-4-5-17(2)8-11/h6,11H,4-5,8-9H2,1-3H3
InChIKeyJFYUVMOIAOMNCW-UHFFFAOYSA-N
XLogP1.04
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 63274025
6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63235310
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143652
6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143439
6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143281
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63274069
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 114287570
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carboxylic acid
CID 55170476
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80829312
2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80647121
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 63234581
5-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63273515

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile (CID 115143377) is 2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile is Cc1nc(C#N)cc(N(C)CC2CCN(C)C2)n1.
What is the InChIKey of 2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile?
The InChIKey is JFYUVMOIAOMNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-15-12(7-14)6-13(16-10)18(3)9-11-4-5-17(2)8-11/h6,11H,4-5,8-9H2,1-3H3.
What are the key properties of 2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile?
2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115143377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).