5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine

C30H42N4O2 — CID 175626285

IUPAC5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine
SMILESCOc1ccc(C(C)(C)CCC(C)(CCC(C)(C)c2ccnc(C)c2C)c2cnc(OC)nc2)cn1
InChIInChI=1S/C30H42N4O2/c1-21-22(2)31-17-12-25(21)29(5,6)14-16-30(7,24-19-33-27(36-9)34-20-24)15-13-28(3,4)23-10-11-26(35-8)32-18-23/h10-12,17-20H,13-16H2,1-9H3
InChIKeyPWIUNZCIDBKICQ-UHFFFAOYSA-N
MW490.69 g/mol
LogP6.67
Rot. Bonds11

About 5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine

5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine (PubChem CID 175626285) has the molecular formula C30H42N4O2 and a molecular weight of 490.69 g/mol. Its IUPAC name is 5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine.

Molecular Properties

Compound Name5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine
PubChem CID175626285
Molecular FormulaC30H42N4O2
Molecular Weight490.69 g/mol
Exact Mass490.33
IUPAC Name5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine
SMILESCOc1ccc(C(C)(C)CCC(C)(CCC(C)(C)c2ccnc(C)c2C)c2cnc(OC)nc2)cn1
InChIInChI=1S/C30H42N4O2/c1-21-22(2)31-17-12-25(21)29(5,6)14-16-30(7,24-19-33-27(36-9)34-20-24)15-13-28(3,4)23-10-11-26(35-8)32-18-23/h10-12,17-20H,13-16H2,1-9H3
InChIKeyPWIUNZCIDBKICQ-UHFFFAOYSA-N
XLogP6.67
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine with MolForge

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Launch Full Analysis

Related Compounds

[4-[5-(6-methoxy-3-pyridinyl)-2,5-dimethylhexan-2-yl]phenyl]methanol
CID 146213676
N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine
CID 139458973
5-(4-tert-butylphenyl)-2-methoxypyridine
CID 67097821
(6-methoxy-3-pyridinyl)-diphenylmethanol
CID 141319613
5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine
CID 89491323
methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate
CID 150017667
5-(3,6-dimethyl-1-phenylhept-5-en-3-yl)-2-methoxypyridine
CID 156599683
2-tert-butyl-5-methoxypyrazine;3-tert-butyl-6-methoxypyridazine;2-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-2-methoxypyridine);2-tert-butyl-5-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;ethane
CID 159072938
5-bromo-2-methoxypyridine
CID 2734895
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
6-methoxypyridine-3-carbaldehyde
CID 3364576
2-methoxy-5-(2-methyl-3-pyridinyl)pyridine
CID 90167711

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine?
The IUPAC name of 5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine (CID 175626285) is 5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine.
What is the SMILES notation for 5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine?
The canonical SMILES for 5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine is COc1ccc(C(C)(C)CCC(C)(CCC(C)(C)c2ccnc(C)c2C)c2cnc(OC)nc2)cn1.
What is the InChIKey of 5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine?
The InChIKey is PWIUNZCIDBKICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O2/c1-21-22(2)31-17-12-25(21)29(5,6)14-16-30(7,24-19-33-27(36-9)34-20-24)15-13-28(3,4)23-10-11-26(35-8)32-18-23/h10-12,17-20H,13-16H2,1-9H3.
What are the key properties of 5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine?
5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine has a molecular weight of 490.69 g/mol, XLogP of 6.67, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dimethyl-4-pyridinyl)-8-(6-methoxy-3-pyridinyl)-2,5,8-trimethylnonan-5-yl]-2-methoxypyrimidine is sourced from PubChem (CID 175626285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).