azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine

C9H17N3 — CID 67633893

IUPACazane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
SMILESCC/C=C/C1=CN=CN(C)C1.N
InChIInChI=1S/C9H14N2.H3N/c1-3-4-5-9-6-10-8-11(2)7-9;/h4-6,8H,3,7H2,1-2H3;1H3/b5-4+;
InChIKeyGYPWQZURDNFIIH-FXRZFVDSSA-N
MW167.26 g/mol
LogP1.97
Rot. Bonds2

About azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine

azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine (PubChem CID 67633893) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine.

Molecular Properties

Compound Nameazane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
PubChem CID67633893
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Nameazane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
SMILESCC/C=C/C1=CN=CN(C)C1.N
InChIInChI=1S/C9H14N2.H3N/c1-3-4-5-9-6-10-8-11(2)7-9;/h4-6,8H,3,7H2,1-2H3;1H3/b5-4+;
InChIKeyGYPWQZURDNFIIH-FXRZFVDSSA-N
XLogP1.97
TPSA50.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine?
The IUPAC name of azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine (CID 67633893) is azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine.
What is the SMILES notation for azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine?
The canonical SMILES for azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine is CC/C=C/C1=CN=CN(C)C1.N.
What is the InChIKey of azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine?
The InChIKey is GYPWQZURDNFIIH-FXRZFVDSSA-N. The full InChI is InChI=1S/C9H14N2.H3N/c1-3-4-5-9-6-10-8-11(2)7-9;/h4-6,8H,3,7H2,1-2H3;1H3/b5-4+;.
What are the key properties of azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine?
azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine has a molecular weight of 167.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine is sourced from PubChem (CID 67633893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).