N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine

C13H13N3 — CID 3672393

IUPACN-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine
SMILESCc1cc(C)nc(N=Cc2ccccc2)n1
InChIInChI=1S/C13H13N3/c1-10-8-11(2)16-13(15-10)14-9-12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyXNPRCYLJHGSQKP-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.84
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine

N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine (PubChem CID 3672393) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine
PubChem CID3672393
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine
SMILESCc1cc(C)nc(N=Cc2ccccc2)n1
InChIInChI=1S/C13H13N3/c1-10-8-11(2)16-13(15-10)14-9-12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyXNPRCYLJHGSQKP-UHFFFAOYSA-N
XLogP2.84
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)methanimine
CID 1239989
N-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxyphenyl)methanimine
CID 4646455
4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 135420862
N-[4-[4-(benzylideneamino)-3,5-dimethylphenyl]-2,6-dimethylphenyl]-1-phenylmethanimine
CID 139193639
N-[(E)-benzylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866423
N,1-diphenylmethanimine
CID 10858
4,6-bis(benzylideneamino)benzene-1,3-diol
CID 58816982
3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol
CID 171390941
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
(Z)-N-(1-methyltetrazol-5-yl)-1-phenylmethanimine
CID 6182061
ethane;N-methyl-1-phenylmethanimine
CID 90887000
N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide
CID 20517414

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine (CID 3672393) is N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine is Cc1cc(C)nc(N=Cc2ccccc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine?
The InChIKey is XNPRCYLJHGSQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-10-8-11(2)16-13(15-10)14-9-12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine?
N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine has a molecular weight of 211.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-1-phenylmethanimine is sourced from PubChem (CID 3672393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).