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

C20H21N9O — CID 169378966

IUPAC[5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2ccc(CN3CCOCC3)cc2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C20H21N9O/c21-9-14-16(23)15-17(26-20(25-11-22)28-19(15)27-18(14)24)13-3-1-12(2-4-13)10-29-5-7-30-8-6-29/h1-4,17H,5-8,10H2,(H6,23,24,25,26,27,28)
InChIKeyHEUOXBHFZAVFPR-UHFFFAOYSA-N
MW403.45 g/mol
LogP0.89
Rot. Bonds3

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

[5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169378966) has the molecular formula C20H21N9O and a molecular weight of 403.45 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169378966
Molecular FormulaC20H21N9O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name[5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2ccc(CN3CCOCC3)cc2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C20H21N9O/c21-9-14-16(23)15-17(26-20(25-11-22)28-19(15)27-18(14)24)13-3-1-12(2-4-13)10-29-5-7-30-8-6-29/h1-4,17H,5-8,10H2,(H6,23,24,25,26,27,28)
InChIKeyHEUOXBHFZAVFPR-UHFFFAOYSA-N
XLogP0.89
TPSA161.40 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 50.89
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-ethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378464
tert-butyl 4-[[4-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]phenyl]methyl]piperazine-1-carboxylate
CID 169381120
[5,7-diamino-6-cyano-4-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379158
[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-4-[4-(azepan-1-ylmethyl)-3-fluorophenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379157
[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-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379125
[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-[2-(piperidin-1-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378995
[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-(1-ethyl-2,3-dihydroindol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379592
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

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169378966) is [5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-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-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is N#CNC1=NC(c2ccc(CN3CCOCC3)cc2)c2c(nc(N)c(C#N)c2N)N1.
What is the InChIKey of [5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is HEUOXBHFZAVFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O/c21-9-14-16(23)15-17(26-20(25-11-22)28-19(15)27-18(14)24)13-3-1-12(2-4-13)10-29-5-7-30-8-6-29/h1-4,17H,5-8,10H2,(H6,23,24,25,26,27,28).
What are the key properties of [5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 403.45 g/mol, XLogP of 0.89, 3 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-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169378966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).