2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine

C46H60N16 — CID 158805319

IUPAC2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
SMILESCc1cc(C)ncn1.Cc1ccnc(C)n1.Cc1ccncn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncnc1.Cc1cncnc1C.Cc1cncnc1C
InChIInChI=1S/6C6H8N2.2C5H6N2/c2*1-5-3-7-4-8-6(5)2;1-5-3-6(2)8-4-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5/h6*3-4H,1-2H3;2*2-4H,1H3
InChIKeyITZRBKKPESRBDX-UHFFFAOYSA-N
MW837.10 g/mol
LogP8.13
Rot. Bonds

About 2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine

2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine (PubChem CID 158805319) has the molecular formula C46H60N16 and a molecular weight of 837.10 g/mol. Its IUPAC name is 2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine.

Molecular Properties

Compound Name2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
PubChem CID158805319
Molecular FormulaC46H60N16
Molecular Weight837.10 g/mol
Exact Mass836.52
IUPAC Name2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
SMILESCc1cc(C)ncn1.Cc1ccnc(C)n1.Cc1ccncn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncnc1.Cc1cncnc1C.Cc1cncnc1C
InChIInChI=1S/6C6H8N2.2C5H6N2/c2*1-5-3-7-4-8-6(5)2;1-5-3-6(2)8-4-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5/h6*3-4H,1-2H3;2*2-4H,1H3
InChIKeyITZRBKKPESRBDX-UHFFFAOYSA-N
XLogP8.13
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500837.10
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine?
The IUPAC name of 2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine (CID 158805319) is 2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine.
What is the SMILES notation for 2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine?
The canonical SMILES for 2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine is Cc1cc(C)ncn1.Cc1ccnc(C)n1.Cc1ccncn1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncnc1.Cc1cncnc1C.Cc1cncnc1C.
What is the InChIKey of 2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine?
The InChIKey is ITZRBKKPESRBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H8N2.2C5H6N2/c2*1-5-3-7-4-8-6(5)2;1-5-3-6(2)8-4-7-5;2*1-5-3-7-6(2)8-4-5;1-5-3-4-7-6(2)8-5;1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5/h6*3-4H,1-2H3;2*2-4H,1H3.
What are the key properties of 2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine?
2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine has a molecular weight of 837.10 g/mol, XLogP of 8.13, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);bis(4,5-dimethylpyrimidine);4,6-dimethylpyrimidine;4-methylpyrimidine;5-methylpyrimidine is sourced from PubChem (CID 158805319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).