N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine

C17H15ClN4O — CID 175870887

IUPACN-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine
SMILESCc1cnc(-c2cnc(N[C@H]3Cc4ccc(Cl)cc4C3)nc2)o1
InChIInChI=1S/C17H15ClN4O/c1-10-7-19-16(23-10)13-8-20-17(21-9-13)22-15-5-11-2-3-14(18)4-12(11)6-15/h2-4,7-9,15H,5-6H2,1H3,(H,20,21,22)/t15-/m0/s1
InChIKeyWOZAEVGIWYABDY-HNNXBMFYSA-N
MW326.79 g/mol
LogP3.67
Rot. Bonds3

About N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine

N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine (PubChem CID 175870887) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine
PubChem CID175870887
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine
SMILESCc1cnc(-c2cnc(N[C@H]3Cc4ccc(Cl)cc4C3)nc2)o1
InChIInChI=1S/C17H15ClN4O/c1-10-7-19-16(23-10)13-8-20-17(21-9-13)22-15-5-11-2-3-14(18)4-12(11)6-15/h2-4,7-9,15H,5-6H2,1H3,(H,20,21,22)/t15-/m0/s1
InChIKeyWOZAEVGIWYABDY-HNNXBMFYSA-N
XLogP3.67
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine (CID 175870887) is N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine is Cc1cnc(-c2cnc(N[C@H]3Cc4ccc(Cl)cc4C3)nc2)o1.
What is the InChIKey of N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine?
The InChIKey is WOZAEVGIWYABDY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-10-7-19-16(23-10)13-8-20-17(21-9-13)22-15-5-11-2-3-14(18)4-12(11)6-15/h2-4,7-9,15H,5-6H2,1H3,(H,20,21,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine?
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine has a molecular weight of 326.79 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(5-methyl-1,3-oxazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 175870887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).