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

C23H27N9O3 — CID 11951842

IUPAC6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCOCCOc1cc(Nc2cc(C)[nH]n2)nc(N2CCC[C@H]2c2cc(-c3nccnc3C)no2)n1
InChIInChI=1S/C23H27N9O3/c1-14-11-20(30-29-14)26-19-13-21(34-10-9-33-3)28-23(27-19)32-8-4-5-17(32)18-12-16(31-35-18)22-15(2)24-6-7-25-22/h6-7,11-13,17H,4-5,8-10H2,1-3H3,(H2,26,27,28,29,30)/t17-/m0/s1
InChIKeyQTDKOAATLBPMSY-KRWDZBQOSA-N
MW477.53 g/mol
LogP3.37
Rot. Bonds9

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

6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 11951842) has the molecular formula C23H27N9O3 and a molecular weight of 477.53 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID11951842
Molecular FormulaC23H27N9O3
Molecular Weight477.53 g/mol
Exact Mass477.22
IUPAC Name6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCOCCOc1cc(Nc2cc(C)[nH]n2)nc(N2CCC[C@H]2c2cc(-c3nccnc3C)no2)n1
InChIInChI=1S/C23H27N9O3/c1-14-11-20(30-29-14)26-19-13-21(34-10-9-33-3)28-23(27-19)32-8-4-5-17(32)18-12-16(31-35-18)22-15(2)24-6-7-25-22/h6-7,11-13,17H,4-5,8-10H2,1-3H3,(H2,26,27,28,29,30)/t17-/m0/s1
InChIKeyQTDKOAATLBPMSY-KRWDZBQOSA-N
XLogP3.37
TPSA140.00 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 11951842) is 6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is COCCOc1cc(Nc2cc(C)[nH]n2)nc(N2CCC[C@H]2c2cc(-c3nccnc3C)no2)n1.
What is the InChIKey of 6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is QTDKOAATLBPMSY-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N9O3/c1-14-11-20(30-29-14)26-19-13-21(34-10-9-33-3)28-23(27-19)32-8-4-5-17(32)18-12-16(31-35-18)22-15(2)24-6-7-25-22/h6-7,11-13,17H,4-5,8-10H2,1-3H3,(H2,26,27,28,29,30)/t17-/m0/s1.
What are the key properties of 6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 477.53 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 11951842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).