N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine

C16H14ClN5O — CID 166525651

IUPACN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine
SMILESCc1noc(-c2cnc(NC3Cc4ccc(Cl)cc4C3)nc2)n1
InChIInChI=1S/C16H14ClN5O/c1-9-20-15(23-22-9)12-7-18-16(19-8-12)21-14-5-10-2-3-13(17)4-11(10)6-14/h2-4,7-8,14H,5-6H2,1H3,(H,18,19,21)
InChIKeyJJQCQNKADMBVHU-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.07
Rot. Bonds3

About N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine

N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine (PubChem CID 166525651) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine
PubChem CID166525651
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine
SMILESCc1noc(-c2cnc(NC3Cc4ccc(Cl)cc4C3)nc2)n1
InChIInChI=1S/C16H14ClN5O/c1-9-20-15(23-22-9)12-7-18-16(19-8-12)21-14-5-10-2-3-13(17)4-11(10)6-14/h2-4,7-8,14H,5-6H2,1H3,(H,18,19,21)
InChIKeyJJQCQNKADMBVHU-UHFFFAOYSA-N
XLogP3.07
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-pyrimidine-5-carboxylic acid (1-{(S)-5-[5-chloro-3-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-indan-1-ylcarbamoyl}-cyclopropyl)-amide
CID 57523216
Pyrimidine-5-carboxylic acid (1-{(S)-5-[5-chloro-3-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-indan-1-ylcarbamoyl}-cyclopropyl)-amide
CID 60142570
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine
CID 162383892
N-(2,3-dihydro-1H-inden-1-yl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91892564
N-[(4-Chlorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-YL)pyrimidin-4-amine
CID 91892622
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 99756347
N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 72661407
N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide
CID 76555088
[2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[2-(difluoromethyl)azetidin-1-yl]methanone
CID 151086574
N-[1-[[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 10289404
N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
CID 91813239
N-(3-chloro-4-fluorobenzyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 92064029

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine (CID 166525651) is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine is Cc1noc(-c2cnc(NC3Cc4ccc(Cl)cc4C3)nc2)n1.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine?
The InChIKey is JJQCQNKADMBVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-9-20-15(23-22-9)12-7-18-16(19-8-12)21-14-5-10-2-3-13(17)4-11(10)6-14/h2-4,7-8,14H,5-6H2,1H3,(H,18,19,21).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine?
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine has a molecular weight of 327.78 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 166525651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).