2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane

C15H21ClN4 — CID 159251829

IUPAC2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane
SMILESC.C/C=C(\C)c1ncc(C)cn1.Cc1cnc(Cl)nc1
InChIInChI=1S/C9H12N2.C5H5ClN2.CH4/c1-4-8(3)9-10-5-7(2)6-11-9;1-4-2-7-5(6)8-3-4;/h4-6H,1-3H3;2-3H,1H3;1H4/b8-4+;;
InChIKeyKVJWHXNCMSWYFE-ZDTICIBISA-N
MW292.81 g/mol
LogP4.28
Rot. Bonds1

About 2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane

2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane (PubChem CID 159251829) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane
PubChem CID159251829
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane
SMILESC.C/C=C(\C)c1ncc(C)cn1.Cc1cnc(Cl)nc1
InChIInChI=1S/C9H12N2.C5H5ClN2.CH4/c1-4-8(3)9-10-5-7(2)6-11-9;1-4-2-7-5(6)8-3-4;/h4-6H,1-3H3;2-3H,1H3;1H4/b8-4+;;
InChIKeyKVJWHXNCMSWYFE-ZDTICIBISA-N
XLogP4.28
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane?
The IUPAC name of 2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane (CID 159251829) is 2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane is C.C/C=C(\C)c1ncc(C)cn1.Cc1cnc(Cl)nc1.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane?
The InChIKey is KVJWHXNCMSWYFE-ZDTICIBISA-N. The full InChI is InChI=1S/C9H12N2.C5H5ClN2.CH4/c1-4-8(3)9-10-5-7(2)6-11-9;1-4-2-7-5(6)8-3-4;/h4-6H,1-3H3;2-3H,1H3;1H4/b8-4+;;.
What are the key properties of 2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane?
2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane has a molecular weight of 292.81 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]-5-methylpyrimidine;2-chloro-5-methylpyrimidine;methane is sourced from PubChem (CID 159251829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).