[5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

C19H18FN9O — CID 169380863

IUPAC[5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2cc(F)ccc2N2CCOCC2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C19H18FN9O/c20-10-1-2-13(29-3-5-30-6-4-29)11(7-10)16-14-15(23)12(8-21)17(24)27-18(14)28-19(26-16)25-9-22/h1-2,7,16H,3-6H2,(H6,23,24,25,26,27,28)
InChIKeyYMHKBMZKCBAHBI-UHFFFAOYSA-N
MW407.41 g/mol
LogP1.03
Rot. Bonds2

About [5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

[5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169380863) has the molecular formula C19H18FN9O and a molecular weight of 407.41 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169380863
Molecular FormulaC19H18FN9O
Molecular Weight407.41 g/mol
Exact Mass407.16
IUPAC Name[5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2cc(F)ccc2N2CCOCC2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C19H18FN9O/c20-10-1-2-13(29-3-5-30-6-4-29)11(7-10)16-14-15(23)12(8-21)17(24)27-18(14)28-19(26-16)25-9-22/h1-2,7,16H,3-6H2,(H6,23,24,25,26,27,28)
InChIKeyYMHKBMZKCBAHBI-UHFFFAOYSA-N
XLogP1.03
TPSA161.40 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

[2-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]-4-fluorophenyl]boronic acid
CID 169378805
[5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378706
[5,7-diamino-4-(2-chloro-4-fluorophenyl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378544
[5,7-diamino-6-cyano-4-(5-morpholin-4-yl-2-nitrophenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380085
[5,7-diamino-6-cyano-4-(5-fluoro-2-nitrophenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378586
[5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378966
[5,7-diamino-6-cyano-4-(2,3,4,5-tetrafluorophenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381314
[5,7-diamino-6-cyano-4-(3,5-difluoro-2-methoxyphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379648
[5,7-diamino-6-cyano-4-[2-(2-fluorophenyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379386
[5,7-diamino-6-cyano-4-(2,5-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378775
[5,7-diamino-6-cyano-4-(3-pyrrolidin-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379762
[5,7-diamino-6-cyano-4-(2-fluoro-4-methylsulfonylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381372

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169380863) is [5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is N#CNC1=NC(c2cc(F)ccc2N2CCOCC2)c2c(nc(N)c(C#N)c2N)N1.
What is the InChIKey of [5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is YMHKBMZKCBAHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN9O/c20-10-1-2-13(29-3-5-30-6-4-29)11(7-10)16-14-15(23)12(8-21)17(24)27-18(14)28-19(26-16)25-9-22/h1-2,7,16H,3-6H2,(H6,23,24,25,26,27,28).
What are the key properties of [5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 407.41 g/mol, XLogP of 1.03, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169380863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).