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

C24H26N8O2 — CID 11525394

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(CNc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)on2)cc1
InChIInChI=1S/C24H26N8O2/c1-2-4-16(5-3-1)20-12-18(34-31-20)15-25-24-27-21(14-23(28-24)32-8-10-33-11-9-32)26-22-13-19(29-30-22)17-6-7-17/h1-5,12-14,17H,6-11,15H2,(H3,25,26,27,28,29,30)
InChIKeyYKSFIQIRKWBIEK-UHFFFAOYSA-N
MW458.53 g/mol
LogP3.92
Rot. Bonds8

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 11525394) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-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-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID11525394
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(CNc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)on2)cc1
InChIInChI=1S/C24H26N8O2/c1-2-4-16(5-3-1)20-12-18(34-31-20)15-25-24-27-21(14-23(28-24)32-8-10-33-11-9-32)26-22-13-19(29-30-22)17-6-7-17/h1-5,12-14,17H,6-11,15H2,(H3,25,26,27,28,29,30)
InChIKeyYKSFIQIRKWBIEK-UHFFFAOYSA-N
XLogP3.92
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-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)-6-morpholin-4-yl-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-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 11525394) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-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-morpholin-4-yl-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-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is c1ccc(-c2cc(CNc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)on2)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is YKSFIQIRKWBIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-2-4-16(5-3-1)20-12-18(34-31-20)15-25-24-27-21(14-23(28-24)32-8-10-33-11-9-32)26-22-13-19(29-30-22)17-6-7-17/h1-5,12-14,17H,6-11,15H2,(H3,25,26,27,28,29,30).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 458.53 g/mol, XLogP of 3.92, 8 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-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 11525394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).