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

C19H18N8O2 — CID 169379741

IUPAC[5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2cccc(C3OCCCO3)c2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C19H18N8O2/c20-8-12-14(22)13-15(25-19(24-9-21)27-17(13)26-16(12)23)10-3-1-4-11(7-10)18-28-5-2-6-29-18/h1,3-4,7,15,18H,2,5-6H2,(H6,22,23,24,25,26,27)
InChIKeyBBCMZVBRDQAOCP-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.49
Rot. Bonds2

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

[5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169379741) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169379741
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name[5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2cccc(C3OCCCO3)c2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C19H18N8O2/c20-8-12-14(22)13-15(25-19(24-9-21)27-17(13)26-16(12)23)10-3-1-4-11(7-10)18-28-5-2-6-29-18/h1,3-4,7,15,18H,2,5-6H2,(H6,22,23,24,25,26,27)
InChIKeyBBCMZVBRDQAOCP-UHFFFAOYSA-N
XLogP1.49
TPSA167.39 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.49
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-(3-cyclopropylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379616
[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-[3-(difluoromethoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378767
N-[3-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]phenyl]benzenesulfonamide
CID 169380395
[5,7-diamino-6-cyano-4-(3,4-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378500
[4-[3-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]phenyl]phenyl]boronic acid
CID 169381447
[5,7-diamino-6-cyano-4-(3-propylsulfanylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379063
[5,7-diamino-6-cyano-4-(2-oxo-1,3-dihydroindol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381015
[5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379101
[3-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]phenyl] acetate
CID 169378799
[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-6-cyano-4-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379158

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169379741) is [5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is N#CNC1=NC(c2cccc(C3OCCCO3)c2)c2c(nc(N)c(C#N)c2N)N1.
What is the InChIKey of [5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is BBCMZVBRDQAOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c20-8-12-14(22)13-15(25-19(24-9-21)27-17(13)26-16(12)23)10-3-1-4-11(7-10)18-28-5-2-6-29-18/h1,3-4,7,15,18H,2,5-6H2,(H6,22,23,24,25,26,27).
What are the key properties of [5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 390.41 g/mol, XLogP of 1.49, 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-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169379741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).