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

C16H19N3 — CID 65405636

IUPACN-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C2CCc3ccccc32)nc1
InChIInChI=1S/C16H19N3/c1-2-17-9-12-10-18-16(19-11-12)15-8-7-13-5-3-4-6-14(13)15/h3-6,10-11,15,17H,2,7-9H2,1H3
InChIKeyDCBSPJUQKGLVEW-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.66
Rot. Bonds4

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

N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 65405636) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID65405636
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C2CCc3ccccc32)nc1
InChIInChI=1S/C16H19N3/c1-2-17-9-12-10-18-16(19-11-12)15-8-7-13-5-3-4-6-14(13)15/h3-6,10-11,15,17H,2,7-9H2,1H3
InChIKeyDCBSPJUQKGLVEW-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.66
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]propan-2-amine
CID 65406414
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-5-yl]butan-2-amine
CID 63250675
N-[[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]methyl]ethanamine
CID 79739248
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65406026
1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 65403490
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 65408606
4-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65403941
N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65405624
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-ethylethanamine
CID 124705366
5-(2,3-dihydro-1H-inden-1-yl)-2H-tetrazole
CID 14662611
2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 65404630

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine (CID 65405636) is N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(C2CCc3ccccc32)nc1.
What is the InChIKey of N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is DCBSPJUQKGLVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-17-9-12-10-18-16(19-11-12)15-8-7-13-5-3-4-6-14(13)15/h3-6,10-11,15,17H,2,7-9H2,1H3.
What are the key properties of N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine?
N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 253.35 g/mol, XLogP of 2.66, 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]ethanamine is sourced from PubChem (CID 65405636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).