4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine

C21H23N5 — CID 166376094

IUPAC4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine
SMILESCC(CNc1nccc(N2Cc3ccccc3C2)n1)Cc1ccccn1
InChIInChI=1S/C21H23N5/c1-16(12-19-8-4-5-10-22-19)13-24-21-23-11-9-20(25-21)26-14-17-6-2-3-7-18(17)15-26/h2-11,16H,12-15H2,1H3,(H,23,24,25)
InChIKeyZQXYCVSOQDVTSD-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.68
Rot. Bonds6

About 4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine

4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine (PubChem CID 166376094) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine
PubChem CID166376094
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine
SMILESCC(CNc1nccc(N2Cc3ccccc3C2)n1)Cc1ccccn1
InChIInChI=1S/C21H23N5/c1-16(12-19-8-4-5-10-22-19)13-24-21-23-11-9-20(25-21)26-14-17-6-2-3-7-18(17)15-26/h2-11,16H,12-15H2,1H3,(H,23,24,25)
InChIKeyZQXYCVSOQDVTSD-UHFFFAOYSA-N
XLogP3.68
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-amine
CID 167858926
1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol
CID 166246042
4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine
CID 167873937
N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321
4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine
CID 166376089
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 44548366
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885872
4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883410
4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112893334
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886203
1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine (CID 166376094) is 4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine is CC(CNc1nccc(N2Cc3ccccc3C2)n1)Cc1ccccn1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine?
The InChIKey is ZQXYCVSOQDVTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-16(12-19-8-4-5-10-22-19)13-24-21-23-11-9-20(25-21)26-14-17-6-2-3-7-18(17)15-26/h2-11,16H,12-15H2,1H3,(H,23,24,25).
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine?
4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine has a molecular weight of 345.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 166376094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).