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

C25H30N8O2 — CID 59757822

IUPAC6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCC(C)c1cc(Nc2cc(OC3CCN(C)C3)nc(NCc3cc(-c4ccccc4)no3)n2)n[nH]1
InChIInChI=1S/C25H30N8O2/c1-16(2)20-12-23(31-30-20)27-22-13-24(34-18-9-10-33(3)15-18)29-25(28-22)26-14-19-11-21(32-35-19)17-7-5-4-6-8-17/h4-8,11-13,16,18H,9-10,14-15H2,1-3H3,(H3,26,27,28,29,30,31)
InChIKeyCULOUZZXZKEQOQ-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.42
Rot. Bonds9

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

6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 59757822) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID59757822
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCC(C)c1cc(Nc2cc(OC3CCN(C)C3)nc(NCc3cc(-c4ccccc4)no3)n2)n[nH]1
InChIInChI=1S/C25H30N8O2/c1-16(2)20-12-23(31-30-20)27-22-13-24(34-18-9-10-33(3)15-18)29-25(28-22)26-14-19-11-21(32-35-19)17-7-5-4-6-8-17/h4-8,11-13,16,18H,9-10,14-15H2,1-3H3,(H3,26,27,28,29,30,31)
InChIKeyCULOUZZXZKEQOQ-UHFFFAOYSA-N
XLogP4.42
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 59757822) is 6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is CC(C)c1cc(Nc2cc(OC3CCN(C)C3)nc(NCc3cc(-c4ccccc4)no3)n2)n[nH]1.
What is the InChIKey of 6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is CULOUZZXZKEQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-16(2)20-12-23(31-30-20)27-22-13-24(34-18-9-10-33(3)15-18)29-25(28-22)26-14-19-11-21(32-35-19)17-7-5-4-6-8-17/h4-8,11-13,16,18H,9-10,14-15H2,1-3H3,(H3,26,27,28,29,30,31).
What are the key properties of 6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 474.57 g/mol, XLogP of 4.42, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrrolidin-3-yl)oxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59757822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).