4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C19H16BrN7O — CID 59758165

IUPAC4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1cccc(Nc2nc(NCc3cc(-c4ccccc4)no3)ncc2Br)n1
InChIInChI=1S/C19H16BrN7O/c20-14-11-23-19(26-18(14)25-17-8-4-7-16(21)24-17)22-10-13-9-15(27-28-13)12-5-2-1-3-6-12/h1-9,11H,10H2,(H4,21,22,23,24,25,26)
InChIKeyBDLRMSXHWIUUDE-UHFFFAOYSA-N
MW438.29 g/mol
LogP4.23
Rot. Bonds6

About 4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59758165) has the molecular formula C19H16BrN7O and a molecular weight of 438.29 g/mol. Its IUPAC name is 4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID59758165
Molecular FormulaC19H16BrN7O
Molecular Weight438.29 g/mol
Exact Mass437.06
IUPAC Name4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1cccc(Nc2nc(NCc3cc(-c4ccccc4)no3)ncc2Br)n1
InChIInChI=1S/C19H16BrN7O/c20-14-11-23-19(26-18(14)25-17-8-4-7-16(21)24-17)22-10-13-9-15(27-28-13)12-5-2-1-3-6-12/h1-9,11H,10H2,(H4,21,22,23,24,25,26)
InChIKeyBDLRMSXHWIUUDE-UHFFFAOYSA-N
XLogP4.23
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 59758165) is 4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is Nc1cccc(Nc2nc(NCc3cc(-c4ccccc4)no3)ncc2Br)n1.
What is the InChIKey of 4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is BDLRMSXHWIUUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN7O/c20-14-11-23-19(26-18(14)25-17-8-4-7-16(21)24-17)22-10-13-9-15(27-28-13)12-5-2-1-3-6-12/h1-9,11H,10H2,(H4,21,22,23,24,25,26).
What are the key properties of 4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 438.29 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-amino-2-pyridinyl)-5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59758165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).