N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine

C17H21N3 — CID 65406414

IUPACN-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2CCc3ccccc32)nc1
InChIInChI=1S/C17H21N3/c1-12(2)18-9-13-10-19-17(20-11-13)16-8-7-14-5-3-4-6-15(14)16/h3-6,10-12,16,18H,7-9H2,1-2H3
InChIKeyOVXBGELJYHKTPO-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.05
Rot. Bonds4

About N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 65406414) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID65406414
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2CCc3ccccc32)nc1
InChIInChI=1S/C17H21N3/c1-12(2)18-9-13-10-19-17(20-11-13)16-8-7-14-5-3-4-6-15(14)16/h3-6,10-12,16,18H,7-9H2,1-2H3
InChIKeyOVXBGELJYHKTPO-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 65403888
N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 65405636
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine
CID 63250675
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 65408606
1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 65403490
N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65405624
(1R)-1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899514
5-(2,3-dihydro-1H-inden-1-yl)-2H-tetrazole
CID 14662611
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 63771957
N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 63250996
4-(chloromethyl)-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 114245062
2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
CID 140627468

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine (CID 65406414) is N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(C2CCc3ccccc32)nc1.
What is the InChIKey of N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is OVXBGELJYHKTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12(2)18-9-13-10-19-17(20-11-13)16-8-7-14-5-3-4-6-15(14)16/h3-6,10-12,16,18H,7-9H2,1-2H3.
What are the key properties of N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 267.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 65406414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).