2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine

C16H21N3O — CID 14253173

IUPAC2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine
SMILESCCCCc1nc(-c2nc(C)cc(OC)n2)ccc1C
InChIInChI=1S/C16H21N3O/c1-5-6-7-13-11(2)8-9-14(18-13)16-17-12(3)10-15(19-16)20-4/h8-10H,5-7H2,1-4H3
InChIKeyCTSZVTVSTOMRHS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.51
Rot. Bonds5

About 2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine

2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine (PubChem CID 14253173) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine.

Molecular Properties

Compound Name2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine
PubChem CID14253173
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine
SMILESCCCCc1nc(-c2nc(C)cc(OC)n2)ccc1C
InChIInChI=1S/C16H21N3O/c1-5-6-7-13-11(2)8-9-14(18-13)16-17-12(3)10-15(19-16)20-4/h8-10H,5-7H2,1-4H3
InChIKeyCTSZVTVSTOMRHS-UHFFFAOYSA-N
XLogP3.51
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine?
The IUPAC name of 2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine (CID 14253173) is 2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine.
What is the SMILES notation for 2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine?
The canonical SMILES for 2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine is CCCCc1nc(-c2nc(C)cc(OC)n2)ccc1C.
What is the InChIKey of 2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine?
The InChIKey is CTSZVTVSTOMRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-6-7-13-11(2)8-9-14(18-13)16-17-12(3)10-15(19-16)20-4/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine?
2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine has a molecular weight of 271.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butyl-5-methyl-2-pyridinyl)-4-methoxy-6-methylpyrimidine is sourced from PubChem (CID 14253173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).