2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile

C11H12N6 — CID 107544896

IUPAC2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile
SMILESCn1cc(CCNc2nccc(C#N)n2)cn1
InChIInChI=1S/C11H12N6/c1-17-8-9(7-15-17)2-4-13-11-14-5-3-10(6-12)16-11/h3,5,7-8H,2,4H2,1H3,(H,13,14,16)
InChIKeyMJRMYURJJXPTPD-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.74
Rot. Bonds4

About 2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile

2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile (PubChem CID 107544896) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile
PubChem CID107544896
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile
SMILESCn1cc(CCNc2nccc(C#N)n2)cn1
InChIInChI=1S/C11H12N6/c1-17-8-9(7-15-17)2-4-13-11-14-5-3-10(6-12)16-11/h3,5,7-8H,2,4H2,1H3,(H,13,14,16)
InChIKeyMJRMYURJJXPTPD-UHFFFAOYSA-N
XLogP0.74
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 80681842
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
CID 114287753
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
4-[2-(1-methylpyrazol-4-yl)ethylamino]quinoline-3-carbonitrile
CID 80684252
2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 81060304
2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile
CID 107848947
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580
2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
CID 107544497
2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile
CID 55150359
2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile
CID 106034899
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 104540597

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile (CID 107544896) is 2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile is Cn1cc(CCNc2nccc(C#N)n2)cn1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile?
The InChIKey is MJRMYURJJXPTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-17-8-9(7-15-17)2-4-13-11-14-5-3-10(6-12)16-11/h3,5,7-8H,2,4H2,1H3,(H,13,14,16).
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile?
2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).