3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine

C17H21N3 — CID 116892881

IUPAC3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine
SMILESCc1cc(-c2ccc3c(c2)CCC3)nc(CCCN)n1
InChIInChI=1S/C17H21N3/c1-12-10-16(20-17(19-12)6-3-9-18)15-8-7-13-4-2-5-14(13)11-15/h7-8,10-11H,2-6,9,18H2,1H3
InChIKeyAHAIPXKUZSWFIX-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.83
Rot. Bonds4

About 3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine

3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine (PubChem CID 116892881) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine
PubChem CID116892881
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine
SMILESCc1cc(-c2ccc3c(c2)CCC3)nc(CCCN)n1
InChIInChI=1S/C17H21N3/c1-12-10-16(20-17(19-12)6-3-9-18)15-8-7-13-4-2-5-14(13)11-15/h7-8,10-11H,2-6,9,18H2,1H3
InChIKeyAHAIPXKUZSWFIX-UHFFFAOYSA-N
XLogP2.83
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
CID 82484222
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
2-[4-(4-ethylsulfanylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 96669293
[6-(2,3-dihydro-1H-inden-5-yl)pyridazin-3-yl]methanamine
CID 82287618
3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine
CID 63318758
2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
CID 116893741
2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
CID 28750643
2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
CID 116897977
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
6-(2,3-dihydro-1H-inden-5-yl)pyridin-2-amine
CID 61025762

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine?
The IUPAC name of 3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine (CID 116892881) is 3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine is Cc1cc(-c2ccc3c(c2)CCC3)nc(CCCN)n1.
What is the InChIKey of 3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine?
The InChIKey is AHAIPXKUZSWFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-10-16(20-17(19-12)6-3-9-18)15-8-7-13-4-2-5-14(13)11-15/h7-8,10-11H,2-6,9,18H2,1H3.
What are the key properties of 3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine?
3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 116892881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).