6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C19H18ClN9O — CID 87748067

IUPAC6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)nc(N3CC[C@H]3c3cc(-c4nccnc4C)no3)n2)n[nH]1
InChIInChI=1S/C19H18ClN9O/c1-10-7-17(27-26-10)24-16-9-15(20)23-19(25-16)29-6-3-13(29)14-8-12(28-30-14)18-11(2)21-4-5-22-18/h4-5,7-9,13H,3,6H2,1-2H3,(H2,23,24,25,26,27)/t13-/m0/s1
InChIKeyGNHOEPQFRNUKFK-ZDUSSCGKSA-N
MW423.87 g/mol
LogP3.61
Rot. Bonds5

About 6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 87748067) has the molecular formula C19H18ClN9O and a molecular weight of 423.87 g/mol. Its IUPAC name is 6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID87748067
Molecular FormulaC19H18ClN9O
Molecular Weight423.87 g/mol
Exact Mass423.13
IUPAC Name6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)nc(N3CC[C@H]3c3cc(-c4nccnc4C)no3)n2)n[nH]1
InChIInChI=1S/C19H18ClN9O/c1-10-7-17(27-26-10)24-16-9-15(20)23-19(25-16)29-6-3-13(29)14-8-12(28-30-14)18-11(2)21-4-5-22-18/h4-5,7-9,13H,3,6H2,1-2H3,(H2,23,24,25,26,27)/t13-/m0/s1
InChIKeyGNHOEPQFRNUKFK-ZDUSSCGKSA-N
XLogP3.61
TPSA121.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.87
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 87748067) is 6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2cc(Cl)nc(N3CC[C@H]3c3cc(-c4nccnc4C)no3)n2)n[nH]1.
What is the InChIKey of 6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is GNHOEPQFRNUKFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18ClN9O/c1-10-7-17(27-26-10)24-16-9-15(20)23-19(25-16)29-6-3-13(29)14-8-12(28-30-14)18-11(2)21-4-5-22-18/h4-5,7-9,13H,3,6H2,1-2H3,(H2,23,24,25,26,27)/t13-/m0/s1.
What are the key properties of 6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 423.87 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 87748067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).