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

CID 118656319
CID 118656319
CID 133969
CID 133969
CID 13225498
CID 13225498
CID 13225526
CID 13225526
CID 44595856
CID 44595856
CID 54580776
CID 54580776
CID 54581791
CID 54581791
CID 54583743
CID 54583743
CID 71042865
CID 71042865
CID 3395869
CID 3395869
CID 44591371
CID 44591371
CID 44591390
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).