2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile

C14H16N6 — CID 115266242

IUPAC2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile
SMILESCN(CC#N)c1cc(NCCc2ccccn2)ncn1
InChIInChI=1S/C14H16N6/c1-20(9-6-15)14-10-13(18-11-19-14)17-8-5-12-4-2-3-7-16-12/h2-4,7,10-11H,5,8-9H2,1H3,(H,17,18,19)
InChIKeyCWDYGIKCKKGSIN-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.49
Rot. Bonds6

About 2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile

2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile (PubChem CID 115266242) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile
PubChem CID115266242
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile
SMILESCN(CC#N)c1cc(NCCc2ccccn2)ncn1
InChIInChI=1S/C14H16N6/c1-20(9-6-15)14-10-13(18-11-19-14)17-8-5-12-4-2-3-7-16-12/h2-4,7,10-11H,5,8-9H2,1H3,(H,17,18,19)
InChIKeyCWDYGIKCKKGSIN-UHFFFAOYSA-N
XLogP1.49
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 78929798
6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928
4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 115265848
2-[methyl-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115266213
2-chloro-4-N-ethyl-4-N-methyl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 143437660
2-[methyl-[6-(1H-pyrrol-3-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115266173
4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861804
4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 19432992
4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 129335986
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861272
4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860603
3-(N-[6-(propylamino)pyrimidin-4-yl]anilino)propanenitrile
CID 80729532

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile?
The IUPAC name of 2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile (CID 115266242) is 2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile.
What is the SMILES notation for 2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile?
The canonical SMILES for 2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile is CN(CC#N)c1cc(NCCc2ccccn2)ncn1.
What is the InChIKey of 2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile?
The InChIKey is CWDYGIKCKKGSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-20(9-6-15)14-10-13(18-11-19-14)17-8-5-12-4-2-3-7-16-12/h2-4,7,10-11H,5,8-9H2,1H3,(H,17,18,19).
What are the key properties of 2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile?
2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile is sourced from PubChem (CID 115266242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).