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

C14H16N4 — CID 80822413

IUPAC6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(N2Cc3ccccc3C2)nc(C)n1
InChIInChI=1S/C14H16N4/c1-10-16-13(15-2)7-14(17-10)18-8-11-5-3-4-6-12(11)9-18/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyQFGVUJVLHQJZNC-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.35
Rot. Bonds2

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

6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 80822413) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine
PubChem CID80822413
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(N2Cc3ccccc3C2)nc(C)n1
InChIInChI=1S/C14H16N4/c1-10-16-13(15-2)7-14(17-10)18-8-11-5-3-4-6-12(11)9-18/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyQFGVUJVLHQJZNC-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

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Related Compounds

2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
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
2-(4,6-Dimethylpyrimidin-2-yl)-2,3-dihydro-1H-isoindol-1-imine; 3466575
CID 3466575
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-2,4-diamine
CID 80767779
4-N,6-N-dimethyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine
CID 155511596
N~4~-benzyl-6-fluoropyrimidine-2,4-diamine
CID 676906
N'-[5,6-dimethyl-7-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine
CID 8072795
6-amino-9-benzyl-2-(ethylamino)-7H-purin-8-one
CID 9925829
6-amino-9-benzyl-2-(propylamino)-7H-purin-8-one
CID 9948195
6-amino-9-benzyl-2-propyl-7H-purin-8-one
CID 10934931
(R)-N4-benzyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 16061844
N4-(4-Fluorobenzyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 16061961

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine (CID 80822413) is 6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine is CNc1cc(N2Cc3ccccc3C2)nc(C)n1.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is QFGVUJVLHQJZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-16-13(15-2)7-14(17-10)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 6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine?
6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-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 6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80822413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).