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

C19H19N9O — CID 169378706

IUPAC[5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2ccc(N3CCOCC3)cc2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C19H19N9O/c20-9-13-15(22)14-16(25-19(24-10-21)27-18(14)26-17(13)23)11-1-3-12(4-2-11)28-5-7-29-8-6-28/h1-4,16H,5-8H2,(H6,22,23,24,25,26,27)
InChIKeyZWUJAMOWTFHAHO-UHFFFAOYSA-N
MW389.42 g/mol
LogP0.90
Rot. Bonds2

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

[5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169378706) has the molecular formula C19H19N9O and a molecular weight of 389.42 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169378706
Molecular FormulaC19H19N9O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name[5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2ccc(N3CCOCC3)cc2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C19H19N9O/c20-9-13-15(22)14-16(25-19(24-10-21)27-18(14)26-17(13)23)11-1-3-12(4-2-11)28-5-7-29-8-6-28/h1-4,16H,5-8H2,(H6,22,23,24,25,26,27)
InChIKeyZWUJAMOWTFHAHO-UHFFFAOYSA-N
XLogP0.90
TPSA161.40 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 50.90
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

[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-(5-morpholin-4-yl-2-nitrophenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380085
ethyl 1-[4-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]phenyl]piperidine-4-carboxylate
CID 169381178
[5,7-diamino-6-cyano-4-(5-fluoro-2-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380863
[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-[4-(dimethylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378474
[5,7-diamino-6-cyano-4-(4-ethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378464
[5,7-diamino-6-cyano-4-(3,4-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378500
[5,7-diamino-6-cyano-4-[4-(diethylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378498
[5,7-diamino-6-cyano-4-(3-cyclopropylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379616
[5,7-diamino-6-cyano-4-[4-[5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381419
[5,7-diamino-6-cyano-4-(1-ethyl-2,3-dihydroindol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379592

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169378706) is [5,7-diamino-6-cyano-4-(4-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-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is N#CNC1=NC(c2ccc(N3CCOCC3)cc2)c2c(nc(N)c(C#N)c2N)N1.
What is the InChIKey of [5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is ZWUJAMOWTFHAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O/c20-9-13-15(22)14-16(25-19(24-10-21)27-18(14)26-17(13)23)11-1-3-12(4-2-11)28-5-7-29-8-6-28/h1-4,16H,5-8H2,(H6,22,23,24,25,26,27).
What are the key properties of [5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 389.42 g/mol, XLogP of 0.90, 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-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169378706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).