5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine

C9H14N2 — CID 89336052

IUPAC5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
SMILESCC/C=C\C1=C(C)NC=NC1
InChIInChI=1S/C9H14N2/c1-3-4-5-9-6-10-7-11-8(9)2/h4-5,7H,3,6H2,1-2H3,(H,10,11)/b5-4-
InChIKeyIBXPEAXKQOUQID-PLNGDYQASA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds2

About 5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine

5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine (PubChem CID 89336052) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
PubChem CID89336052
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
SMILESCC/C=C\C1=C(C)NC=NC1
InChIInChI=1S/C9H14N2/c1-3-4-5-9-6-10-7-11-8(9)2/h4-5,7H,3,6H2,1-2H3,(H,10,11)/b5-4-
InChIKeyIBXPEAXKQOUQID-PLNGDYQASA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine?
The IUPAC name of 5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine (CID 89336052) is 5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine is CC/C=C\C1=C(C)NC=NC1.
What is the InChIKey of 5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine?
The InChIKey is IBXPEAXKQOUQID-PLNGDYQASA-N. The full InChI is InChI=1S/C9H14N2/c1-3-4-5-9-6-10-7-11-8(9)2/h4-5,7H,3,6H2,1-2H3,(H,10,11)/b5-4-.
What are the key properties of 5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine?
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine has a molecular weight of 150.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 89336052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).