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

C24H26N8O — CID 11503139

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(CNc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCCC4)n3)on2)cc1
InChIInChI=1S/C24H26N8O/c1-2-6-16(7-3-1)20-12-18(33-31-20)15-25-24-27-21(14-23(28-24)32-10-4-5-11-32)26-22-13-19(29-30-22)17-8-9-17/h1-3,6-7,12-14,17H,4-5,8-11,15H2,(H3,25,26,27,28,29,30)
InChIKeyUTRKIJDVHAXUHV-UHFFFAOYSA-N
MW442.53 g/mol
LogP4.69
Rot. Bonds8

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine (PubChem CID 11503139) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
PubChem CID11503139
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(CNc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCCC4)n3)on2)cc1
InChIInChI=1S/C24H26N8O/c1-2-6-16(7-3-1)20-12-18(33-31-20)15-25-24-27-21(14-23(28-24)32-10-4-5-11-32)26-22-13-19(29-30-22)17-8-9-17/h1-3,6-7,12-14,17H,4-5,8-11,15H2,(H3,25,26,27,28,29,30)
InChIKeyUTRKIJDVHAXUHV-UHFFFAOYSA-N
XLogP4.69
TPSA107.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine (CID 11503139) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine is c1ccc(-c2cc(CNc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCCC4)n3)on2)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is UTRKIJDVHAXUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-2-6-16(7-3-1)20-12-18(33-31-20)15-25-24-27-21(14-23(28-24)32-10-4-5-11-32)26-22-13-19(29-30-22)17-8-9-17/h1-3,6-7,12-14,17H,4-5,8-11,15H2,(H3,25,26,27,28,29,30).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 442.53 g/mol, XLogP of 4.69, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 11503139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).