2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine

C12H12N4 — CID 107589532

IUPAC2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1cncnc1)C2
InChIInChI=1S/C12H12N4/c13-12-3-1-2-9-6-16(7-11(9)12)10-4-14-8-15-5-10/h1-5,8H,6-7,13H2
InChIKeyUPZVPKLBAKSNFV-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.58
Rot. Bonds1

About 2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine

2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine (PubChem CID 107589532) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine
PubChem CID107589532
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine
SMILESNc1cccc2c1CN(c1cncnc1)C2
InChIInChI=1S/C12H12N4/c13-12-3-1-2-9-6-16(7-11(9)12)10-4-14-8-15-5-10/h1-5,8H,6-7,13H2
InChIKeyUPZVPKLBAKSNFV-UHFFFAOYSA-N
XLogP1.58
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine
CID 114223014
2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine
CID 114254655
2-(4-propylphenyl)-1,3-dihydroisoindol-4-amine
CID 43378747
2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine
CID 43370098
2-pyrimidin-5-yl-1,3-dihydroisoindol-5-amine
CID 107589531
2-quinolin-6-yl-1,3-dihydroisoindol-4-amine
CID 62634434
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dihydroisoindol-4-amine
CID 43370137
2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine
CID 62812209
2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine
CID 107645773
2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-4-amine
CID 43370032
2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine
CID 114932785
2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine
CID 43370057

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine (CID 107589532) is 2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine is Nc1cccc2c1CN(c1cncnc1)C2.
What is the InChIKey of 2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine?
The InChIKey is UPZVPKLBAKSNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-12-3-1-2-9-6-16(7-11(9)12)10-4-14-8-15-5-10/h1-5,8H,6-7,13H2.
What are the key properties of 2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine?
2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine has a molecular weight of 212.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 107589532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).