4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C25H28N8O2 — CID 59758036

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCN1CCC(Oc2cc(Nc3cc(C4CC4)[nH]n3)nc(NCc3cc(-c4ccccc4)no3)n2)C1
InChIInChI=1S/C25H28N8O2/c1-33-10-9-18(15-33)34-24-13-22(27-23-12-20(30-31-23)17-7-8-17)28-25(29-24)26-14-19-11-21(32-35-19)16-5-3-2-4-6-16/h2-6,11-13,17-18H,7-10,14-15H2,1H3,(H3,26,27,28,29,30,31)
InChIKeyGGIMJVWSFVSRCZ-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.17
Rot. Bonds9

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59758036) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID59758036
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCN1CCC(Oc2cc(Nc3cc(C4CC4)[nH]n3)nc(NCc3cc(-c4ccccc4)no3)n2)C1
InChIInChI=1S/C25H28N8O2/c1-33-10-9-18(15-33)34-24-13-22(27-23-12-20(30-31-23)17-7-8-17)28-25(29-24)26-14-19-11-21(32-35-19)16-5-3-2-4-6-16/h2-6,11-13,17-18H,7-10,14-15H2,1H3,(H3,26,27,28,29,30,31)
InChIKeyGGIMJVWSFVSRCZ-UHFFFAOYSA-N
XLogP4.17
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 59758036) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is CN1CCC(Oc2cc(Nc3cc(C4CC4)[nH]n3)nc(NCc3cc(-c4ccccc4)no3)n2)C1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is GGIMJVWSFVSRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-33-10-9-18(15-33)34-24-13-22(27-23-12-20(30-31-23)17-7-8-17)28-25(29-24)26-14-19-11-21(32-35-19)16-5-3-2-4-6-16/h2-6,11-13,17-18H,7-10,14-15H2,1H3,(H3,26,27,28,29,30,31).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 472.55 g/mol, XLogP of 4.17, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59758036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).