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

C13H14N4 — CID 80822585

IUPAC6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2Cc3ccccc3C2)ncn1
InChIInChI=1S/C13H14N4/c1-14-12-6-13(16-9-15-12)17-7-10-4-2-3-5-11(10)8-17/h2-6,9H,7-8H2,1H3,(H,14,15,16)
InChIKeyKOHNTKREMQPAIE-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.04
Rot. Bonds2

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

6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine (PubChem CID 80822585) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine
PubChem CID80822585
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2Cc3ccccc3C2)ncn1
InChIInChI=1S/C13H14N4/c1-14-12-6-13(16-9-15-12)17-7-10-4-2-3-5-11(10)8-17/h2-6,9H,7-8H2,1H3,(H,14,15,16)
InChIKeyKOHNTKREMQPAIE-UHFFFAOYSA-N
XLogP2.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-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

6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyrimidin-4-amine
CID 80827707
6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 80822413
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848
2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole
CID 22309526
6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine
CID 122282250
6-(1,3-dihydroisoindol-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80822675
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112855480
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol
CID 121206025

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine (CID 80822585) is 6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine is CNc1cc(N2Cc3ccccc3C2)ncn1.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine?
The InChIKey is KOHNTKREMQPAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-14-12-6-13(16-9-15-12)17-7-10-4-2-3-5-11(10)8-17/h2-6,9H,7-8H2,1H3,(H,14,15,16).
What are the key properties of 6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine?
6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine has a molecular weight of 226.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80822585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).