N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine

C17H14ClN5 — CID 162383920

IUPACN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
SMILESClc1ccc2c(c1)CC(Nc1ncc(-c3cnccn3)cn1)C2
InChIInChI=1S/C17H14ClN5/c18-14-2-1-11-6-15(7-12(11)5-14)23-17-21-8-13(9-22-17)16-10-19-3-4-20-16/h1-5,8-10,15H,6-7H2,(H,21,22,23)
InChIKeyYNMCHBNSLDJETJ-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.17
Rot. Bonds3

About N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine

N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine (PubChem CID 162383920) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
PubChem CID162383920
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
SMILESClc1ccc2c(c1)CC(Nc1ncc(-c3cnccn3)cn1)C2
InChIInChI=1S/C17H14ClN5/c18-14-2-1-11-6-15(7-12(11)5-14)23-17-21-8-13(9-22-17)16-10-19-3-4-20-16/h1-5,8-10,15H,6-7H2,(H,21,22,23)
InChIKeyYNMCHBNSLDJETJ-UHFFFAOYSA-N
XLogP3.17
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
4-N-[(4-chlorophenyl)methyl]-6-pyridin-2-yl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 118716413
3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-3-pyridin-2-yl-propionamidine
CID 9924710
6-Chloro-2-pyrazin-2-yl-N-[(1S)-2,2,2-trifluoro-1-methylethyl]-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 11281927
6-chloro-2-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 11774464
5-(3-chlorophenyl)-4-(4-(4-methyl-1H-imidazol-5-yl)piperidin-1-yl)pyrimidine
CID 20779094
5-(4-chlorophenyl)-4-(4-(4-methyl-1H-imidazol-5-yl)piperidin-1-yl)pyrimidine
CID 20779100
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[2-(1H-imidazol-4-yl)-ethyl]-amine
CID 23562970
N4-{2-[(2-aminopyrimidin-4-yl)amino]ethyl}-6-(3-chlorophenyl)pyrimidine-2,4-diamine
CID 44595856
4-[5-(5-chloro-2-methylphenyl)-1H-pyrrol-2-yl]pyrimidin-2-amine
CID 71042865

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine (CID 162383920) is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine is Clc1ccc2c(c1)CC(Nc1ncc(-c3cnccn3)cn1)C2.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
The InChIKey is YNMCHBNSLDJETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c18-14-2-1-11-6-15(7-12(11)5-14)23-17-21-8-13(9-22-17)16-10-19-3-4-20-16/h1-5,8-10,15H,6-7H2,(H,21,22,23).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine has a molecular weight of 323.79 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 162383920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).