2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane

C24H42N6 — CID 157076945

IUPAC2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane
SMILESCCC.CCC.CCC.Cc1ccncn1.Cc1cncnc1.Cc1ncccn1
InChIInChI=1S/3C5H6N2.3C3H8/c1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;3*1-3-2/h3*2-4H,1H3;3*3H2,1-2H3
InChIKeyADBRUGGANMYENT-UHFFFAOYSA-N
MW414.64 g/mol
LogP6.60
Rot. Bonds

About 2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane

2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane (PubChem CID 157076945) has the molecular formula C24H42N6 and a molecular weight of 414.64 g/mol. Its IUPAC name is 2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane.

Molecular Properties

Compound Name2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane
PubChem CID157076945
Molecular FormulaC24H42N6
Molecular Weight414.64 g/mol
Exact Mass414.35
IUPAC Name2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane
SMILESCCC.CCC.CCC.Cc1ccncn1.Cc1cncnc1.Cc1ncccn1
InChIInChI=1S/3C5H6N2.3C3H8/c1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;3*1-3-2/h3*2-4H,1H3;3*3H2,1-2H3
InChIKeyADBRUGGANMYENT-UHFFFAOYSA-N
XLogP6.60
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.64
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane?
The IUPAC name of 2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane (CID 157076945) is 2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane.
What is the SMILES notation for 2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane?
The canonical SMILES for 2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane is CCC.CCC.CCC.Cc1ccncn1.Cc1cncnc1.Cc1ncccn1.
What is the InChIKey of 2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane?
The InChIKey is ADBRUGGANMYENT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H6N2.3C3H8/c1-5-2-6-4-7-3-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;3*1-3-2/h3*2-4H,1H3;3*3H2,1-2H3.
What are the key properties of 2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane?
2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane has a molecular weight of 414.64 g/mol, XLogP of 6.60, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;propane is sourced from PubChem (CID 157076945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).