(2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine

C10H14N2 — CID 134594357

IUPAC(2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine
SMILESCC=C/C(C)=C1/N=CC=CN1C
InChIInChI=1S/C10H14N2/c1-4-6-9(2)10-11-7-5-8-12(10)3/h4-8H,1-3H3/b6-4?,10-9-
InChIKeyWVVGYPYZBRNDNU-CZICHMJFSA-N
MW162.24 g/mol
LogP2.32
Rot. Bonds1

About (2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine

(2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine (PubChem CID 134594357) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine.

Molecular Properties

Compound Name(2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine
PubChem CID134594357
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine
SMILESCC=C/C(C)=C1/N=CC=CN1C
InChIInChI=1S/C10H14N2/c1-4-6-9(2)10-11-7-5-8-12(10)3/h4-8H,1-3H3/b6-4?,10-9-
InChIKeyWVVGYPYZBRNDNU-CZICHMJFSA-N
XLogP2.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine?
The IUPAC name of (2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine (CID 134594357) is (2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine.
What is the SMILES notation for (2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine?
The canonical SMILES for (2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine is CC=C/C(C)=C1/N=CC=CN1C.
What is the InChIKey of (2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine?
The InChIKey is WVVGYPYZBRNDNU-CZICHMJFSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-6-9(2)10-11-7-5-8-12(10)3/h4-8H,1-3H3/b6-4?,10-9-.
What are the key properties of (2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine?
(2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine has a molecular weight of 162.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-methyl-2-pent-3-en-2-ylidenepyrimidine is sourced from PubChem (CID 134594357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).