2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile

C14H14N4O — CID 571685

IUPAC2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile
SMILESCc1cc(OCC#N)nc(NCc2ccccc2)n1
InChIInChI=1S/C14H14N4O/c1-11-9-13(19-8-7-15)18-14(17-11)16-10-12-5-3-2-4-6-12/h2-6,9H,8,10H2,1H3,(H,16,17,18)
InChIKeyZNMUKILRKBRUKA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.30
Rot. Bonds5

About 2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile

2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile (PubChem CID 571685) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile.

Molecular Properties

Compound Name2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile
PubChem CID571685
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile
SMILESCc1cc(OCC#N)nc(NCc2ccccc2)n1
InChIInChI=1S/C14H14N4O/c1-11-9-13(19-8-7-15)18-14(17-11)16-10-12-5-3-2-4-6-12/h2-6,9H,8,10H2,1H3,(H,16,17,18)
InChIKeyZNMUKILRKBRUKA-UHFFFAOYSA-N
XLogP2.30
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
CID 115974514
2-[2-(4-fluoro-3-methylanilino)-6-methylpyrimidin-4-yl]oxyacetonitrile
CID 95922444
1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone
CID 721063
4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 115974506
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 102536498
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 4304258
2-N-benzyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911702

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile?
The IUPAC name of 2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile (CID 571685) is 2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile.
What is the SMILES notation for 2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile?
The canonical SMILES for 2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile is Cc1cc(OCC#N)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile?
The InChIKey is ZNMUKILRKBRUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-11-9-13(19-8-7-15)18-14(17-11)16-10-12-5-3-2-4-6-12/h2-6,9H,8,10H2,1H3,(H,16,17,18).
What are the key properties of 2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile?
2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyacetonitrile is sourced from PubChem (CID 571685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).