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

C19H13BrN8 — CID 169380889

IUPAC[5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2cc(Br)c3ccccc3c2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C19H13BrN8/c20-13-6-10(5-9-3-1-2-4-11(9)13)16-14-15(23)12(7-21)17(24)27-18(14)28-19(26-16)25-8-22/h1-6,16H,(H6,23,24,25,26,27,28)
InChIKeySNFFBDXBJVWOOU-UHFFFAOYSA-N
MW433.27 g/mol
LogP2.97
Rot. Bonds1

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

[5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169380889) has the molecular formula C19H13BrN8 and a molecular weight of 433.27 g/mol. Its IUPAC name is [5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169380889
Molecular FormulaC19H13BrN8
Molecular Weight433.27 g/mol
Exact Mass432.04
IUPAC Name[5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2cc(Br)c3ccccc3c2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C19H13BrN8/c20-13-6-10(5-9-3-1-2-4-11(9)13)16-14-15(23)12(7-21)17(24)27-18(14)28-19(26-16)25-8-22/h1-6,16H,(H6,23,24,25,26,27,28)
InChIKeySNFFBDXBJVWOOU-UHFFFAOYSA-N
XLogP2.97
TPSA148.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.27
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-4-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379719
[5,7-diamino-6-cyano-4-(3-cyclopropylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379616
[5,7-diamino-4-(3-bromo-4-ethoxyphenyl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378751
[5,7-diamino-6-cyano-4-(3,4-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378500
[5,7-diamino-4-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380163
[5,7-diamino-4-[3-bromo-5-nitro-4-(trifluoromethoxy)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381402
[5,7-diamino-4-(5-bromo-2-hydroxy-3,4-dimethoxyphenyl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381412
ethyl 2-[2-bromo-4-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]-6-ethoxyphenoxy]acetate
CID 169380538
[5,7-diamino-4-[4-(5-bromo-2-pyridinyl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380083
[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-(3,5-dibromo-2-hydroxyphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378571

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169380889) is [5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is N#CNC1=NC(c2cc(Br)c3ccccc3c2)c2c(nc(N)c(C#N)c2N)N1.
What is the InChIKey of [5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is SNFFBDXBJVWOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN8/c20-13-6-10(5-9-3-1-2-4-11(9)13)16-14-15(23)12(7-21)17(24)27-18(14)28-19(26-16)25-8-22/h1-6,16H,(H6,23,24,25,26,27,28).
What are the key properties of [5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 433.27 g/mol, XLogP of 2.97, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-diamino-4-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169380889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).