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

C24H28N8O2 — CID 11294137

IUPAC6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOCCCc1cc(Nc2cc(C)[nH]n2)nc(N2CCCC2c2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C24H28N8O2/c1-16-13-23(30-29-16)27-22-14-17(7-6-12-33-2)26-24(28-22)32-11-5-9-20(32)21-15-19(31-34-21)18-8-3-4-10-25-18/h3-4,8,10,13-15,20H,5-7,9,11-12H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyRIEYMRAVLMMDQI-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.22
Rot. Bonds9

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

6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 11294137) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID11294137
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOCCCc1cc(Nc2cc(C)[nH]n2)nc(N2CCCC2c2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C24H28N8O2/c1-16-13-23(30-29-16)27-22-14-17(7-6-12-33-2)26-24(28-22)32-11-5-9-20(32)21-15-19(31-34-21)18-8-3-4-10-25-18/h3-4,8,10,13-15,20H,5-7,9,11-12H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyRIEYMRAVLMMDQI-UHFFFAOYSA-N
XLogP4.22
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-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 6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 11294137) is 6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is COCCCc1cc(Nc2cc(C)[nH]n2)nc(N2CCCC2c2cc(-c3ccccn3)no2)n1.
What is the InChIKey of 6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is RIEYMRAVLMMDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-16-13-23(30-29-16)27-22-14-17(7-6-12-33-2)26-24(28-22)32-11-5-9-20(32)21-15-19(31-34-21)18-8-3-4-10-25-18/h3-4,8,10,13-15,20H,5-7,9,11-12H2,1-2H3,(H2,26,27,28,29,30).
What are the key properties of 6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 460.54 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 11294137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).