5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C15H16ClN3 — CID 81323700

IUPAC5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nccc(CNC2CCc3cc(Cl)ccc32)n1
InChIInChI=1S/C15H16ClN3/c1-10-17-7-6-13(19-10)9-18-15-5-2-11-8-12(16)3-4-14(11)15/h3-4,6-8,15,18H,2,5,9H2,1H3
InChIKeySROIXSOVZNMGCK-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.22
Rot. Bonds3

About 5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81323700) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81323700
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1nccc(CNC2CCc3cc(Cl)ccc32)n1
InChIInChI=1S/C15H16ClN3/c1-10-17-7-6-13(19-10)9-18-15-5-2-11-8-12(16)3-4-14(11)15/h3-4,6-8,15,18H,2,5,9H2,1H3
InChIKeySROIXSOVZNMGCK-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
LY 113174
CID 133969
9-Chloro-2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine
CID 13225498
9-chloro-7-(2-chlorophenyl)-6,7-dihydro-2-methyl-5H-pyrimido[5,4-d][2]benzazepine
CID 13225526
N4-{2-[(2-aminopyrimidin-4-yl)amino]ethyl}-6-(3-chlorophenyl)pyrimidine-2,4-diamine
CID 44595856
2-(2-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine
CID 54580776
2-(4-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine
CID 54581791
2-(3-Chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 54583743
4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine
CID 71042865
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
CID 3395869
5-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 44591371
5-chloro-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 44591390

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 81323700) is 5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1nccc(CNC2CCc3cc(Cl)ccc32)n1.
What is the InChIKey of 5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SROIXSOVZNMGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-10-17-7-6-13(19-10)9-18-15-5-2-11-8-12(16)3-4-14(11)15/h3-4,6-8,15,18H,2,5,9H2,1H3.
What are the key properties of 5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.77 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81323700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).