2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile

C14H15N5 — CID 107544861

IUPAC2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile
SMILESCCN(Cc1cccc(C)n1)c1nccc(C#N)n1
InChIInChI=1S/C14H15N5/c1-3-19(10-13-6-4-5-11(2)17-13)14-16-8-7-12(9-15)18-14/h4-8H,3,10H2,1-2H3
InChIKeyRCGIWXMOFFFFNS-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.08
Rot. Bonds4

About 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile

2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile (PubChem CID 107544861) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile
PubChem CID107544861
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile
SMILESCCN(Cc1cccc(C)n1)c1nccc(C#N)n1
InChIInChI=1S/C14H15N5/c1-3-19(10-13-6-4-5-11(2)17-13)14-16-8-7-12(9-15)18-14/h4-8H,3,10H2,1-2H3
InChIKeyRCGIWXMOFFFFNS-UHFFFAOYSA-N
XLogP2.08
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107544863
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114287739
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547773
2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile
CID 107544133
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
CID 107542879
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetamide
CID 107545435
2-[bis(cyanomethyl)amino]pyrimidine-4-carbonitrile
CID 107543413
2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
CID 80652405
2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 107544048
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
6-[(dimethylamino)methyl]pyridine-2-carbonitrile
CID 18953890
6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 83128125

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile (CID 107544861) is 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile is CCN(Cc1cccc(C)n1)c1nccc(C#N)n1.
What is the InChIKey of 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile?
The InChIKey is RCGIWXMOFFFFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-3-19(10-13-6-4-5-11(2)17-13)14-16-8-7-12(9-15)18-14/h4-8H,3,10H2,1-2H3.
What are the key properties of 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile?
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).