2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine

C14H14N4 — CID 3466575

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1nc(C)cc(C)n1
InChIInChI=1S/C14H14N4/c1-9-7-10(2)17-14(16-9)18-8-11-5-3-4-6-12(11)13(18)15/h3-7,15H,8H2,1-2H3/b15-13+
InChIKeyCNIPEVQUYISKFW-FYWRMAATSA-N
MW238.29 g/mol
LogP2.44
Rot. Bonds1

About 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine

2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine (PubChem CID 3466575) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine
PubChem CID3466575
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1nc(C)cc(C)n1
InChIInChI=1S/C14H14N4/c1-9-7-10(2)17-14(16-9)18-8-11-5-3-4-6-12(11)13(18)15/h3-7,15H,8H2,1-2H3/b15-13+
InChIKeyCNIPEVQUYISKFW-FYWRMAATSA-N
XLogP2.44
TPSA52.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
N-Butyl-4,6-Dimethyl-N-{[2'-(2h-Tetrazol-5-Yl)biphenyl-4-Yl]methyl}pyrimidin-2-Amine
CID 15658026
5H-Benzo(6,7)cyclohepta(1,2-d)pyrimidin-2-amine, 4-((3R)-3-amino-1-pyrrolidinyl)-6,7-dihydro-
CID 25068753
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071004
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 25129523

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine (CID 3466575) is 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1c1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine?
The InChIKey is CNIPEVQUYISKFW-FYWRMAATSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-7-10(2)17-14(16-9)18-8-11-5-3-4-6-12(11)13(18)15/h3-7,15H,8H2,1-2H3/b15-13+.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine?
2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine has a molecular weight of 238.29 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine is sourced from PubChem (CID 3466575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).