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

C14H16N4 — CID 122282250

IUPAC6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1cc(N2Cc3ccccc3C2)ncn1
InChIInChI=1S/C14H16N4/c1-17(2)13-7-14(16-10-15-13)18-8-11-5-3-4-6-12(11)9-18/h3-7,10H,8-9H2,1-2H3
InChIKeyYCZXFZYGXARGQJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.06
Rot. Bonds2

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

6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine (PubChem CID 122282250) 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,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine
PubChem CID122282250
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1cc(N2Cc3ccccc3C2)ncn1
InChIInChI=1S/C14H16N4/c1-17(2)13-7-14(16-10-15-13)18-8-11-5-3-4-6-12(11)9-18/h3-7,10H,8-9H2,1-2H3
InChIKeyYCZXFZYGXARGQJ-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole
CID 22309526
6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine
CID 80822585
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 155975901
N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 163346447
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
6-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 154883037
6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 122282072
N,N-dimethyl-6-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 98859123
6-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 155942314
1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 72921537

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine (CID 122282250) is 6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine is CN(C)c1cc(N2Cc3ccccc3C2)ncn1.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine?
The InChIKey is YCZXFZYGXARGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-17(2)13-7-14(16-10-15-13)18-8-11-5-3-4-6-12(11)9-18/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine?
6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine has a molecular weight of 240.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 122282250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).