5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile

C16H16N8 — CID 122194734

IUPAC5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(C)(C)c1nc(-c2cnccn2)c2c(N)c(C#N)c(N)nc2n1
InChIInChI=1S/C16H16N8/c1-16(2,3)15-22-12(9-7-20-4-5-21-9)10-11(18)8(6-17)13(19)23-14(10)24-15/h4-5,7H,1-3H3,(H4,18,19,22,23,24)
InChIKeyYWEKXUMPGGUAIJ-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.82
Rot. Bonds1

About 5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile

5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 122194734) has the molecular formula C16H16N8 and a molecular weight of 320.36 g/mol. Its IUPAC name is 5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID122194734
Molecular FormulaC16H16N8
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(C)(C)c1nc(-c2cnccn2)c2c(N)c(C#N)c(N)nc2n1
InChIInChI=1S/C16H16N8/c1-16(2,3)15-22-12(9-7-20-4-5-21-9)10-11(18)8(6-17)13(19)23-14(10)24-15/h4-5,7H,1-3H3,(H4,18,19,22,23,24)
InChIKeyYWEKXUMPGGUAIJ-UHFFFAOYSA-N
XLogP1.82
TPSA140.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile
CID 22449345
2-(3,5-ditert-butylphenyl)pyrazine
CID 175590155
1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine
CID 83222452
6-pyrazin-2-ylpyrazine-2-carbonitrile
CID 175750943
5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 122194717
5-methyl-2-propyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 80977225
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
6-amino-2-tert-butylpyrimidine-4-carbonitrile
CID 116862608
4-pyrazin-2-yl-1,3-oxazol-5-amine
CID 82415331
3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 162650950
2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile
CID 84771568
5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66305058

Frequently Asked Questions

What is the IUPAC name of 5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile (CID 122194734) is 5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile is CC(C)(C)c1nc(-c2cnccn2)c2c(N)c(C#N)c(N)nc2n1.
What is the InChIKey of 5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is YWEKXUMPGGUAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8/c1-16(2,3)15-22-12(9-7-20-4-5-21-9)10-11(18)8(6-17)13(19)23-14(10)24-15/h4-5,7H,1-3H3,(H4,18,19,22,23,24).
What are the key properties of 5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile?
5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 320.36 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diamino-2-tert-butyl-4-pyrazin-2-ylpyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 122194734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).