6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine

C11H10FN5O2 — CID 10264728

IUPAC6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine
SMILESNc1nc(N)c(N=O)c(OCc2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN5O2/c12-7-3-1-6(2-4-7)5-19-10-8(17-18)9(13)15-11(14)16-10/h1-4H,5H2,(H4,13,14,15,16)
InChIKeyUMKGCKUTZKVSMN-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.76
Rot. Bonds4

About 6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine

6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine (PubChem CID 10264728) has the molecular formula C11H10FN5O2 and a molecular weight of 263.23 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine
PubChem CID10264728
Molecular FormulaC11H10FN5O2
Molecular Weight263.23 g/mol
Exact Mass263.08
IUPAC Name6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine
SMILESNc1nc(N)c(N=O)c(OCc2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN5O2/c12-7-3-1-6(2-4-7)5-19-10-8(17-18)9(13)15-11(14)16-10/h1-4H,5H2,(H4,13,14,15,16)
InChIKeyUMKGCKUTZKVSMN-UHFFFAOYSA-N
XLogP1.76
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine (CID 10264728) is 6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine is Nc1nc(N)c(N=O)c(OCc2ccc(F)cc2)n1.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine?
The InChIKey is UMKGCKUTZKVSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O2/c12-7-3-1-6(2-4-7)5-19-10-8(17-18)9(13)15-11(14)16-10/h1-4H,5H2,(H4,13,14,15,16).
What are the key properties of 6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine?
6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine has a molecular weight of 263.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methoxy]-5-nitrosopyrimidine-2,4-diamine is sourced from PubChem (CID 10264728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).