2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine

C23H33N3 — CID 170009095

IUPAC2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine
SMILESc1cc2nc(C3CCCCCCC3)ncc2nc1C1CCCCCCC1
InChIInChI=1S/C23H33N3/c1-3-7-11-18(12-8-4-1)20-15-16-21-22(25-20)17-24-23(26-21)19-13-9-5-2-6-10-14-19/h15-19H,1-14H2
InChIKeyBDRNHSFWNWCCAG-UHFFFAOYSA-N
MW351.54 g/mol
LogP6.68
Rot. Bonds2

About 2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine

2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine (PubChem CID 170009095) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is 2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine
PubChem CID170009095
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC Name2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine
SMILESc1cc2nc(C3CCCCCCC3)ncc2nc1C1CCCCCCC1
InChIInChI=1S/C23H33N3/c1-3-7-11-18(12-8-4-1)20-15-16-21-22(25-20)17-24-23(26-21)19-13-9-5-2-6-10-14-19/h15-19H,1-14H2
InChIKeyBDRNHSFWNWCCAG-UHFFFAOYSA-N
XLogP6.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.54
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrido(2,3-b)pyrazine
CID 67580
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
Sotirimod
CID 6450818
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
2,3-Dimethylpyrido[2,3-b]pyrazine
CID 252159
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
N-benzylpyrido[3,2-d]pyrimidin-4-amine
CID 5328272
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6b
CID 5328345
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6d
CID 5328347
N'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
CID 66556536
6-(2-Fluoropyridin-4-Yl)pyrido[3,2-D]pyrimidin-4-Amine
CID 72703518

Frequently Asked Questions

What is the IUPAC name of 2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine (CID 170009095) is 2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine is c1cc2nc(C3CCCCCCC3)ncc2nc1C1CCCCCCC1.
What is the InChIKey of 2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine?
The InChIKey is BDRNHSFWNWCCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3/c1-3-7-11-18(12-8-4-1)20-15-16-21-22(25-20)17-24-23(26-21)19-13-9-5-2-6-10-14-19/h15-19H,1-14H2.
What are the key properties of 2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine?
2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine has a molecular weight of 351.54 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(cyclooctyl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 170009095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).