2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine

C17H14FN7O — CID 66634027

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine
SMILESNc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C17H14FN7O/c18-11-4-2-1-3-10(11)9-25-15(13-5-6-26-24-13)7-14(23-25)17-21-8-12(19)16(20)22-17/h1-8H,9,19H2,(H2,20,21,22)
InChIKeyHXXRJGDUUPQJRU-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.35
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine

2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine (PubChem CID 66634027) has the molecular formula C17H14FN7O and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine
PubChem CID66634027
Molecular FormulaC17H14FN7O
Molecular Weight351.35 g/mol
Exact Mass351.12
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine
SMILESNc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C17H14FN7O/c18-11-4-2-1-3-10(11)9-25-15(13-5-6-26-24-13)7-14(23-25)17-21-8-12(19)16(20)22-17/h1-8H,9,19H2,(H2,20,21,22)
InChIKeyHXXRJGDUUPQJRU-UHFFFAOYSA-N
XLogP2.35
TPSA121.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine (CID 66634027) is 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine is Nc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1N.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine?
The InChIKey is HXXRJGDUUPQJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7O/c18-11-4-2-1-3-10(11)9-25-15(13-5-6-26-24-13)7-14(23-25)17-21-8-12(19)16(20)22-17/h1-8H,9,19H2,(H2,20,21,22).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine?
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine has a molecular weight of 351.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidine-4,5-diamine is sourced from PubChem (CID 66634027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).