6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine

C10H14N2 — CID 137483320

IUPAC6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine
SMILESC=CC1=CC(C)(/C=C\C)N=CN1
InChIInChI=1S/C10H14N2/c1-4-6-10(3)7-9(5-2)11-8-12-10/h4-8H,2H2,1,3H3,(H,11,12)/b6-4-
InChIKeyMHUXLOLNFIZCQJ-XQRVVYSFSA-N
MW162.24 g/mol
LogP2.02
Rot. Bonds2

About 6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine

6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine (PubChem CID 137483320) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine.

Molecular Properties

Compound Name6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine
PubChem CID137483320
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine
SMILESC=CC1=CC(C)(/C=C\C)N=CN1
InChIInChI=1S/C10H14N2/c1-4-6-10(3)7-9(5-2)11-8-12-10/h4-8H,2H2,1,3H3,(H,11,12)/b6-4-
InChIKeyMHUXLOLNFIZCQJ-XQRVVYSFSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine?
The IUPAC name of 6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine (CID 137483320) is 6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine.
What is the SMILES notation for 6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine?
The canonical SMILES for 6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine is C=CC1=CC(C)(/C=C\C)N=CN1.
What is the InChIKey of 6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine?
The InChIKey is MHUXLOLNFIZCQJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-6-10(3)7-9(5-2)11-8-12-10/h4-8H,2H2,1,3H3,(H,11,12)/b6-4-.
What are the key properties of 6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine?
6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine has a molecular weight of 162.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-methyl-4-[(Z)-prop-1-enyl]-1H-pyrimidine is sourced from PubChem (CID 137483320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).