4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine

C22H25FN8O — CID 155443565

IUPAC4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCCN1CCC(c2cc(-c3nc(-c4ccnc(N)c4F)ccc3N=O)nc(N)n2)CC1
InChIInChI=1S/C22H25FN8O/c1-2-9-31-10-6-13(7-11-31)17-12-18(29-22(25)28-17)20-16(30-32)4-3-15(27-20)14-5-8-26-21(24)19(14)23/h3-5,8,12-13H,2,6-7,9-11H2,1H3,(H2,24,26)(H2,25,28,29)
InChIKeyREDBIDKNEOIQOM-UHFFFAOYSA-N
MW436.50 g/mol
LogP3.89
Rot. Bonds6

About 4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine

4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 155443565) has the molecular formula C22H25FN8O and a molecular weight of 436.50 g/mol. Its IUPAC name is 4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID155443565
Molecular FormulaC22H25FN8O
Molecular Weight436.50 g/mol
Exact Mass436.21
IUPAC Name4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCCN1CCC(c2cc(-c3nc(-c4ccnc(N)c4F)ccc3N=O)nc(N)n2)CC1
InChIInChI=1S/C22H25FN8O/c1-2-9-31-10-6-13(7-11-31)17-12-18(29-22(25)28-17)20-16(30-32)4-3-15(27-20)14-5-8-26-21(24)19(14)23/h3-5,8,12-13H,2,6-7,9-11H2,1H3,(H2,24,26)(H2,25,28,29)
InChIKeyREDBIDKNEOIQOM-UHFFFAOYSA-N
XLogP3.89
TPSA136.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine (CID 155443565) is 4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine is CCCN1CCC(c2cc(-c3nc(-c4ccnc(N)c4F)ccc3N=O)nc(N)n2)CC1.
What is the InChIKey of 4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is REDBIDKNEOIQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8O/c1-2-9-31-10-6-13(7-11-31)17-12-18(29-22(25)28-17)20-16(30-32)4-3-15(27-20)14-5-8-26-21(24)19(14)23/h3-5,8,12-13H,2,6-7,9-11H2,1H3,(H2,24,26)(H2,25,28,29).
What are the key properties of 4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 436.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-amino-3-fluoro-4-pyridinyl)-3-nitroso-2-pyridinyl]-6-(1-propylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 155443565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).