2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile

C13H13N5 — CID 107544863

IUPAC2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
SMILESCCN(Cc1ccccn1)c1nccc(C#N)n1
InChIInChI=1S/C13H13N5/c1-2-18(10-12-5-3-4-7-15-12)13-16-8-6-11(9-14)17-13/h3-8H,2,10H2,1H3
InChIKeyQZRZKACFAYFSCW-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.77
Rot. Bonds4

About 2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile

2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107544863) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
PubChem CID107544863
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
SMILESCCN(Cc1ccccn1)c1nccc(C#N)n1
InChIInChI=1S/C13H13N5/c1-2-18(10-12-5-3-4-7-15-12)13-16-8-6-11(9-14)17-13/h3-8H,2,10H2,1H3
InChIKeyQZRZKACFAYFSCW-UHFFFAOYSA-N
XLogP1.77
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544861
6-[ethyl(pyridin-2-ylmethyl)amino]pyridazine-3-carbonitrile
CID 133419199
2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile
CID 107544133
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
CID 107542879
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetamide
CID 107545435
2-[bis(cyanomethyl)amino]pyrimidine-4-carbonitrile
CID 107543413
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103468799
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile
CID 103505486
2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 107544048
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile
CID 107552766

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile (CID 107544863) is 2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile is CCN(Cc1ccccn1)c1nccc(C#N)n1.
What is the InChIKey of 2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is QZRZKACFAYFSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-18(10-12-5-3-4-7-15-12)13-16-8-6-11(9-14)17-13/h3-8H,2,10H2,1H3.
What are the key properties of 2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile?
2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).