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

C22H19N7O2 — CID 59757787

IUPAC4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C22H19N7O2/c1-14-10-20(25-21-12-18(27-28-21)19-8-5-9-30-19)26-22(24-14)23-13-16-11-17(29-31-16)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyJFTOYDVIHGDBEY-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.78
Rot. Bonds7

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

4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59757787) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID59757787
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C22H19N7O2/c1-14-10-20(25-21-12-18(27-28-21)19-8-5-9-30-19)26-22(24-14)23-13-16-11-17(29-31-16)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyJFTOYDVIHGDBEY-UHFFFAOYSA-N
XLogP4.78
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 59757787) is 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1.
What is the InChIKey of 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is JFTOYDVIHGDBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c1-14-10-20(25-21-12-18(27-28-21)19-8-5-9-30-19)26-22(24-14)23-13-16-11-17(29-31-16)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H3,23,24,25,26,27,28).
What are the key properties of 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 413.44 g/mol, XLogP of 4.78, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59757787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).