4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine

C14H16N4 — CID 80822586

IUPAC4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C14H16N4/c1-10-7-13(17-14(15-2)16-10)18-8-11-5-3-4-6-12(11)9-18/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyQLADOZYYOZYCNO-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.35
Rot. Bonds2

About 4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine

4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine (PubChem CID 80822586) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine
PubChem CID80822586
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C14H16N4/c1-10-7-13(17-14(15-2)16-10)18-8-11-5-3-4-6-12(11)9-18/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyQLADOZYYOZYCNO-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine
CID 80767534
6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 80822413
1-cyclopropyl-3-[4-(1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-2-yl]thiourea
CID 100790557
1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674481
N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80822558
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112920337
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-pentylpyrimidin-2-amine
CID 112920323
4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
CID 80835991
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
CID 112920388
6-(1,3-dihydroisoindol-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80822675
1-tert-butyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-2-yl]thiourea
CID 100776580
4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
CID 44526921

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine (CID 80822586) is 4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(N2Cc3ccccc3C2)n1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is QLADOZYYOZYCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-7-13(17-14(15-2)16-10)18-8-11-5-3-4-6-12(11)9-18/h3-7H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine?
4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80822586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).